data_2ecz_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 2ecz _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -130.18 150.14 51.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.903 0.382 . . . . 0.0 110.846 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -146.57 167.85 22.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.077 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.8 mm -132.86 125.53 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.98 99.5 0.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -60.77 -24.6 65.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -147.61 -179.09 6.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -91.3 140.85 29.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.418 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . 31.0 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.823 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.882 0.372 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -124.4 138.72 54.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 89.1 p -100.71 141.15 33.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.418 ' CE1' ' HB2' ' A' ' 16' ' ' PHE . 4.5 p90 -139.24 149.03 43.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 68.1 ttt180 -91.55 143.68 26.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.3 tttp -51.73 118.96 3.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.43 -32.72 7.04 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.445 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -51.51 145.04 9.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.79 0.328 . . . . 0.0 110.908 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -86.01 122.11 29.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 33.3 mt -102.31 103.08 14.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.9 m -65.16 90.66 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 52.9 mt -52.35 127.6 22.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.958 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.5 mt -111.15 -51.09 2.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -163.13 155.75 18.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.5 ' CD ' ' CE1' ' A' ' 43' ' ' TYR . 59.8 tt0 -95.31 115.77 27.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.2 t -69.65 -65.48 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -118.84 -175.41 2.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -71.83 -21.18 61.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.551 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 57.1 m-20 -129.74 37.8 3.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.551 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 82.3 m95 -158.37 115.62 2.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.557 ' CD2' HD13 ' A' ' 58' ' ' ILE . 10.2 m-85 -102.78 147.06 27.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.938 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -105.96 150.31 25.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 175.94 165.57 32.02 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.496 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.0 ptt85 -114.17 174.23 6.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.329 . . . . 0.0 110.862 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.9 mm . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 121.673 0.749 . . . . 0.0 111.128 179.956 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.1 pt -125.55 168.53 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 0.0 111.131 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -172.8 155.77 3.12 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.684 0.754 . . . . 0.0 110.859 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.559 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.4 Cg_endo -69.82 163.74 37.18 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.557 HD13 ' CD2' ' A' ' 43' ' ' TYR . 2.0 mm -78.04 -63.27 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.144 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 58' ' ' ILE . 1.6 p -34.07 -37.76 0.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.559 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 7.5 m-85 -62.01 -51.39 68.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 58' ' ' ILE . 4.1 m -102.21 136.81 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.156 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -108.64 106.73 16.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.1 p -77.64 143.21 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.1 mp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.935 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -146.73 131.56 18.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.886 0.374 . . . . 0.0 110.895 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -132.24 147.43 52.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.8 mm -111.44 129.39 66.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.6 91.51 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.044 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -51.61 -40.88 60.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -133.9 178.83 6.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -89.7 137.02 32.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.3 t80 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.817 0.342 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 31.4 ttp -99.27 99.76 10.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.1 p -67.61 148.75 50.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -149.81 162.68 39.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.9 mtm180 -104.8 159.21 15.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -60.68 144.54 51.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.0 -38.98 3.13 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.526 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -43.85 157.52 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -114.86 118.81 34.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.6 mt -100.43 114.72 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 37.1 m -69.14 86.5 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.1 mt -42.9 137.82 2.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.962 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 53.7 mt -124.53 -49.36 1.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -158.75 173.24 16.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -118.01 108.22 14.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.0 t -65.94 -69.82 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -106.75 -179.5 3.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -76.29 -12.46 60.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.526 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 12.3 m-80 -133.85 33.05 3.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.526 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 69.3 m95 -154.83 117.35 4.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.56 ' CD2' HD12 ' A' ' 58' ' ' ILE . 9.6 m-85 -99.15 145.88 26.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -105.91 157.24 17.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 172.83 175.43 40.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.45 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -127.59 173.31 9.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.788 0.328 . . . . 0.0 110.874 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.2 mm . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 121.58 0.705 . . . . 0.0 111.125 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 27.0 pt -134.98 163.3 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.915 0.388 . . . . 0.0 111.145 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -169.04 154.85 6.23 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.607 0.718 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.415 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.6 Cg_endo -69.78 177.0 6.03 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.634 2.222 . . . . 0.0 112.375 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.56 HD12 ' CD2' ' A' ' 43' ' ' TYR . 4.1 mm -90.57 -60.35 2.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 58' ' ' ILE . 57.7 p -34.36 -46.53 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.415 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 21.1 m-85 -57.03 -53.46 57.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 25.9 m -103.6 120.94 54.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.088 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.83 105.41 17.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.5 p -74.84 131.66 34.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.9 mp . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.918 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -124.12 154.9 39.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.829 0.347 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -143.28 162.35 35.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.3 mm -124.83 118.91 54.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.49 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . . . -66.66 91.98 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -55.33 -33.7 63.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -142.65 144.81 32.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.46 ' ND2' ' HA ' ' A' ' 27' ' ' ARG . 24.0 t-20 -63.8 125.13 23.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.867 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . 89.2 t80 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.905 0.383 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 12.2 tmm? -110.86 133.77 53.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 96.4 p -93.58 135.93 34.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 9.1 p90 -133.48 156.54 47.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.46 ' HA ' ' ND2' ' A' ' 15' ' ' ASN . 11.9 ttt180 -95.76 148.76 22.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -54.9 111.67 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.18 -35.27 4.94 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -42.29 156.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -106.07 109.99 22.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.498 HD11 ' CD2' ' A' ' 26' ' ' PHE . 74.6 mt -93.21 110.34 23.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 48.3 m -63.88 92.74 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.087 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.4 mt -52.48 118.49 3.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.1 mt -99.41 -41.5 7.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -169.96 174.64 5.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -114.85 102.78 10.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.7 t -63.4 -68.26 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -109.49 163.21 13.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -60.48 -21.12 62.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.565 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 2.3 m-80 -124.5 33.84 5.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.565 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 70.2 m95 -156.35 118.4 3.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.562 ' CD2' HD11 ' A' ' 58' ' ' ILE . 19.3 m-85 -102.03 140.9 35.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -98.69 157.44 16.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 174.7 162.3 25.99 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -121.22 171.01 9.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.787 0.327 . . . . 0.0 110.888 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.5 mm . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.602 0.715 . . . . 0.0 111.172 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 23.4 pt -123.81 168.74 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.874 0.369 . . . . 0.0 111.146 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.476 ' C ' ' CE3' ' A' ' 42' ' ' TRP . 15.8 p90 -172.93 154.84 2.85 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.63 0.728 . . . . 0.0 110.893 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.529 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.6 Cg_endo -69.73 176.98 6.03 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.693 2.262 . . . . 0.0 112.348 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.562 HD11 ' CD2' ' A' ' 43' ' ' TYR . 4.4 mm -90.44 -60.65 2.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 58' ' ' ILE . 60.9 p -36.09 -30.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.12 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.529 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 11.6 m-85 -72.33 -48.29 43.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.933 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.47 ' N ' ' O ' ' A' ' 58' ' ' ILE . 5.8 m -111.47 136.63 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.113 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -107.07 111.59 24.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.8 p -78.47 136.71 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.137 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.2 mp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.937 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -134.32 129.04 34.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.876 0.369 . . . . 0.0 110.867 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -131.57 151.42 51.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.7 mm -123.75 124.34 69.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.115 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.57 101.03 0.73 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -67.8 -20.65 65.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -145.37 170.16 16.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -86.89 135.01 33.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.0 t80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.847 0.356 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 31.7 ttp -94.36 118.3 31.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.9 p -84.89 147.65 26.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -151.92 159.13 43.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -104.57 149.47 25.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -50.71 147.95 4.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.28 -40.07 3.01 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -47.05 158.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.2 ttm180 -114.6 128.72 56.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 69.6 mt -108.63 110.55 32.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 47.5 m -62.25 91.33 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.2 mt -42.39 135.99 2.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.457 ' CD1' ' HA2' ' A' ' 45' ' ' GLY . 11.2 mt -123.34 -55.62 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -155.46 -177.44 6.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -120.53 102.23 8.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.8 t -63.84 -67.28 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -112.21 168.0 9.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -62.81 -15.59 54.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.599 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 16.1 m-80 -133.35 33.42 3.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 59.2 m95 -154.87 115.69 3.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.569 ' CD2' HD13 ' A' ' 58' ' ' ILE . 28.7 m-85 -98.1 144.63 27.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.97 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -101.34 148.7 24.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.457 ' HA2' ' CD1' ' A' ' 35' ' ' LEU . . . -174.91 171.62 44.75 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.551 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.9 ptt85 -122.62 177.2 5.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.357 . . . . 0.0 110.849 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.8 mm . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.641 0.734 . . . . 0.0 111.155 179.947 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 24.3 pt -147.11 168.42 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.363 . . . . 0.0 111.138 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.467 ' CE1' HG22 ' A' ' 61' ' ' VAL . 17.9 p90 -173.71 154.22 2.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.683 0.754 . . . . 0.0 110.877 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.564 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.6 Cg_endo -69.79 176.69 6.45 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.689 2.259 . . . . 0.0 112.308 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.569 HD13 ' CD2' ' A' ' 43' ' ' TYR . 4.9 mm -86.05 -61.59 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.111 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 58' ' ' ILE . 35.1 p -34.77 -48.02 0.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.564 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 17.8 m-85 -54.0 -55.91 22.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.467 HG22 ' CE1' ' A' ' 56' ' ' PHE . 30.5 m -98.2 121.22 48.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.093 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -90.69 111.58 22.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.6 t -73.68 121.35 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.9 mp . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.928 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -137.21 138.65 40.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.33 . . . . 0.0 110.931 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -146.06 168.66 20.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.2 mm -130.86 131.87 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.7 104.99 2.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.065 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.474 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 26.8 mtpp -68.48 -18.38 64.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.474 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 96.9 m-85 -159.83 172.84 16.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -80.95 136.94 36.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.508 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . 13.4 t80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.854 0.359 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.1 tmm? -94.7 135.71 35.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.6 t -95.97 154.16 17.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.508 ' CE1' ' HB2' ' A' ' 16' ' ' PHE . 2.4 p90 -148.83 153.75 38.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 -102.28 137.63 40.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.0 ttpt -41.56 123.3 2.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.59 -42.56 1.87 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -44.26 149.32 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.341 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -91.01 144.79 25.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.829 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.2 mt -125.86 108.66 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.3 m -75.08 90.34 2.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 72.2 mt -49.01 130.34 18.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 30.7 mt -115.21 -50.08 2.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -156.88 161.6 39.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -109.01 98.8 8.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 80.9 t -58.54 -63.83 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -114.82 173.47 6.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.816 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -69.65 -17.6 63.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.418 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 30.0 m120 -127.45 27.63 5.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.418 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 55.5 m95 -149.51 120.89 7.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.488 ' O ' ' CZ ' ' A' ' 56' ' ' PHE . 10.4 m-85 -107.4 131.68 54.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -99.42 135.51 40.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -166.69 174.75 42.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.524 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.7 ptt-85 -123.95 178.24 5.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 110.885 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.8 mm . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.61 0.719 . . . . 0.0 111.149 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 35.0 pt -110.0 165.1 5.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.888 0.375 . . . . 0.0 111.13 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.488 ' CZ ' ' O ' ' A' ' 43' ' ' TYR . 17.1 p90 -174.88 154.76 1.82 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.655 0.74 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.516 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.7 Cg_endo -69.73 161.01 47.58 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.664 2.243 . . . . 0.0 112.381 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.485 HD12 ' CD2' ' A' ' 43' ' ' TYR . 1.5 mm -79.14 -62.18 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.155 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 58' ' ' ILE . 32.4 p -34.06 -35.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.516 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 8.8 m-85 -65.08 -53.93 37.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' A' ' 58' ' ' ILE . 35.2 m -94.64 150.68 3.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.169 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.82 105.5 12.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.0 p -83.53 128.79 38.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.9 mp . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.166 179.882 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -125.58 -175.05 3.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.888 0.375 . . . . 0.0 110.896 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -172.0 148.87 2.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.073 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.5 mm -117.29 127.22 74.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.472 ' CB ' ' CD1' ' A' ' 26' ' ' PHE . . . -69.72 106.19 3.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -57.99 -33.28 68.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -142.0 179.94 6.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -84.6 148.85 26.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.481 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . 85.8 t80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.839 0.352 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 8.3 tmm? -109.28 140.9 42.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.2 p -100.76 141.95 32.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.481 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 13.6 p90 -133.73 158.26 43.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -100.21 151.86 20.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.1 ttpt -64.19 106.25 1.04 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 105.52 35.71 3.01 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.486 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -119.81 162.38 19.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.815 0.341 . . . . 0.0 110.914 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -93.67 147.0 23.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 85.1 mt -130.87 109.75 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.178 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 83.7 m -69.53 95.57 0.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 mt -58.56 125.95 25.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.1 mt -113.46 -35.95 5.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -173.29 173.52 3.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -117.9 105.62 12.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 79.4 t -65.3 -61.26 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -117.14 164.07 15.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -64.21 -13.03 46.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -130.32 20.11 5.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.463 ' N ' HD13 ' A' ' 58' ' ' ILE . 60.1 m95 -144.02 118.86 9.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.563 ' CD2' HD11 ' A' ' 58' ' ' ILE . 7.1 m-85 -99.68 145.35 27.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -109.71 140.19 43.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -172.36 170.37 43.41 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -122.19 163.22 19.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.831 0.348 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.4 mm . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.621 0.724 . . . . 0.0 111.122 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.6 pt -128.02 163.63 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 111.151 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -170.13 154.15 4.9 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.632 0.73 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.5 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.7 Cg_endo -69.75 173.4 11.03 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.391 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.563 HD11 ' CD2' ' A' ' 43' ' ' TYR . 2.8 mm -90.0 -61.35 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.101 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 58' ' ' ILE . 24.9 p -34.09 -38.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.5 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 12.9 m-85 -62.27 -52.87 61.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.955 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.415 ' N ' ' O ' ' A' ' 58' ' ' ILE . 18.0 m -97.52 137.1 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.163 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.18 109.36 21.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 71.6 t -73.42 138.0 22.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.096 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.6 mp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 179.923 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -150.08 139.39 21.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 0.0 110.944 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -141.07 151.21 43.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.078 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.1 mm -113.78 135.77 52.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.96 108.82 11.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.5 mmmt -70.69 -25.45 62.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -148.17 -176.13 5.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -96.82 135.29 39.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.492 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . 69.3 t80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.888 0.375 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.414 ' SD ' ' C ' ' A' ' 24' ' ' MET . 6.0 tmm? -105.14 127.11 52.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.7 m -86.67 141.17 29.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 17.6 p90 -137.4 152.65 49.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -103.55 136.06 43.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -42.39 132.79 3.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.57 -38.95 2.93 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -43.46 158.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.866 0.365 . . . . 0.0 110.9 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.5 ttp85 -103.95 107.15 17.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.841 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.484 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 52.0 mt -90.99 104.66 15.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.071 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.2 m -69.2 90.84 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.187 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.1 mt -47.09 126.51 9.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.7 mt -108.95 -47.17 3.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.488 ' O ' ' CB ' ' A' ' 44' ' ' GLU . 31.3 ptt180 -170.13 155.78 5.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -92.71 113.69 26.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.6 t -75.45 -62.37 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -113.09 164.96 12.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -56.59 -24.5 48.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.54 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 3.4 m-80 -127.9 34.86 4.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.867 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.54 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 60.7 m95 -153.55 116.69 4.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.564 ' CE2' HD13 ' A' ' 58' ' ' ILE . 19.7 m-85 -100.59 153.44 19.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.488 ' CB ' ' O ' ' A' ' 36' ' ' ARG . 21.3 tt0 -107.68 150.19 27.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.74 169.0 40.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.0 ptt180 -128.5 161.69 28.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.332 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.4 mm . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.584 0.707 . . . . 0.0 111.141 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 24.0 pt -130.57 169.89 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.935 0.398 . . . . 0.0 111.1 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.484 ' CZ ' HG21 ' A' ' 32' ' ' ILE . 12.5 p90 -175.03 155.11 1.79 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.691 0.758 . . . . 0.0 110.849 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.497 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.8 Cg_endo -69.74 -179.76 3.13 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.682 2.255 . . . . 0.0 112.384 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.564 HD13 ' CE2' ' A' ' 43' ' ' TYR . 4.0 mm -91.23 -59.3 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 58' ' ' ILE . 40.7 p -34.08 -43.92 0.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.497 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 15.5 m-85 -58.49 -52.09 67.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.442 HG11 ' CD1' ' A' ' 32' ' ' ILE . 15.4 m -105.74 121.55 58.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.148 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -93.4 80.53 4.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.3 p -49.76 126.52 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.108 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.8 mp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.92 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -135.23 166.95 21.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.849 0.357 . . . . 0.0 110.9 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.2 159.42 42.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.3 mm -110.93 124.04 67.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.418 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . . . -70.43 95.39 1.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.525 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 1.4 mmmm -61.09 -22.67 64.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.525 ' CD1' ' O ' ' A' ' 13' ' ' LYS . 48.1 m-85 -152.61 178.41 9.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -96.9 134.6 40.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 80.4 t80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.959 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.85 0.357 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.9 tmm? -114.36 134.86 54.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.6 p -102.57 137.57 40.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.418 ' CD2' ' HB3' ' A' ' 12' ' ' ALA . 7.0 p90 -126.86 170.49 12.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 28' ' ' LYS . 54.8 ttt180 -116.57 136.51 52.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.845 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 27' ' ' ARG . 22.8 tttp -37.15 130.3 0.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.43 -42.13 2.49 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.441 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -40.31 144.41 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.377 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -98.29 119.64 37.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.901 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 28.7 mt -103.89 101.3 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 37.4 m -64.56 92.47 0.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.2 mt -50.89 122.53 7.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.5 mt -107.36 -48.64 3.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -155.67 159.03 39.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.492 ' HG3' ' CD1' ' A' ' 43' ' ' TYR . 66.0 tt0 -105.82 118.82 37.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 66.2 t -72.62 -63.08 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -120.46 -176.2 3.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -71.79 -21.25 61.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.458 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 26.3 m120 -127.61 36.05 4.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.458 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 86.9 m95 -157.06 119.79 3.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.492 ' CD1' ' HG3' ' A' ' 37' ' ' GLN . 14.3 m-85 -109.03 138.77 44.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.927 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -103.35 139.67 38.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.83 -177.95 37.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.444 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.3 ptt180 -130.57 164.82 24.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.803 0.335 . . . . 0.0 110.838 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 38.9 mm . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.613 0.721 . . . . 0.0 111.127 179.955 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 27.3 pt -145.93 165.35 9.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 0.0 111.157 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.425 ' CE1' ' O ' ' A' ' 43' ' ' TYR . 8.7 p90 -170.72 155.97 4.92 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.68 0.752 . . . . 0.0 110.829 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.566 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.8 Cg_endo -69.75 161.08 47.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.646 2.231 . . . . 0.0 112.335 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.454 ' O ' ' C ' ' A' ' 59' ' ' THR . 1.5 mm -79.38 -63.56 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 58' ' ' ILE . 60.9 p -33.97 -36.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.566 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 8.3 m-85 -61.78 -53.56 54.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.411 ' N ' ' O ' ' A' ' 58' ' ' ILE . 34.6 m -101.56 143.34 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.136 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.26 105.64 14.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.9 p -62.28 139.85 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.1 mt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.174 179.905 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -136.84 144.96 43.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.358 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -150.66 169.19 22.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.431 HG13 ' CD1' ' A' ' 64' ' ' ILE . 2.8 mt -138.78 138.94 41.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.46 101.47 4.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.542 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -68.8 -11.07 60.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.542 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 98.3 m-85 -162.89 156.72 20.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -68.83 136.52 52.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 62.1 t80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.832 0.349 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.2 tmm? -114.32 127.1 55.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 59.7 p -92.1 147.47 22.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -146.64 151.54 37.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.3 mtp85 -95.56 149.76 21.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -58.63 133.16 55.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.55 -28.24 16.39 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.498 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -65.14 154.14 38.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.852 0.358 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.3 ttm-85 -108.88 120.73 43.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 36.6 mt -89.92 123.41 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 55.9 m -78.2 81.14 4.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.143 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.9 mt -39.46 136.53 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.924 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.6 mt -122.12 -36.36 2.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.401 ' NH1' ' HB2' ' A' ' 36' ' ' ARG . 3.5 ptm85 -171.43 177.17 3.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -118.3 115.25 24.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 43.9 t -74.43 -70.74 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -111.43 -178.31 3.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -71.32 -18.31 62.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.565 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 90.0 m-20 -130.8 37.01 3.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.565 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 80.2 m95 -157.97 115.53 2.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.554 ' CD2' HD11 ' A' ' 58' ' ' ILE . 15.7 m-85 -103.45 138.54 40.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -93.14 143.16 26.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -170.74 164.33 37.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.473 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -122.43 168.46 12.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 0.0 110.86 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 39.0 mm . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 121.643 0.735 . . . . 0.0 111.104 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.8 pt -155.0 161.22 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.358 . . . . 0.0 111.135 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.43 ' CE1' ' O ' ' A' ' 43' ' ' TYR . 6.0 p90 -173.64 155.53 2.58 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.651 0.738 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.56 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 54.5 Cg_endo -69.75 167.03 25.6 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.655 2.237 . . . . 0.0 112.375 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.554 HD11 ' CD2' ' A' ' 43' ' ' TYR . 2.1 mm -80.45 -61.65 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 58' ' ' ILE . 77.2 p -33.85 -45.33 0.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.56 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 17.2 m-85 -57.76 -54.5 46.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.949 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.6 m -94.82 126.21 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.128 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -94.38 109.67 21.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 42.0 t -73.85 113.26 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.431 ' CD1' HG13 ' A' ' 11' ' ' ILE . 5.3 mp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.097 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -127.03 130.72 50.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.855 0.359 . . . . 0.0 110.897 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -118.82 167.38 11.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 40.5 mm -134.91 120.47 30.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.22 105.78 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.407 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 22.7 mmmt -74.81 -21.57 59.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' A' ' 13' ' ' LYS . 69.0 m-85 -150.65 152.51 34.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -68.74 113.46 6.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . 79.4 t80 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.853 0.359 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.4 tmm? -122.98 124.82 44.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 76.2 p -86.94 134.82 33.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.814 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.524 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 6.7 p90 -131.09 152.78 50.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.841 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -97.83 157.75 15.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -54.75 138.57 41.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.07 -38.96 3.14 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -47.12 138.43 6.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.896 0.379 . . . . 0.0 110.893 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -93.36 135.94 34.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 42.4 mt -112.58 103.82 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.168 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.3 m -63.86 87.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.9 mt -44.43 129.98 6.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.966 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 47.9 mt -115.54 -42.73 3.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -168.08 161.15 12.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.553 ' HG3' ' CD1' ' A' ' 43' ' ' TYR . 60.1 tt0 -102.17 111.1 23.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.1 t -70.15 -63.36 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -119.22 176.96 5.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -69.13 -22.08 63.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.57 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 20.7 m120 -126.13 31.79 5.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.57 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 67.7 m95 -155.62 117.11 3.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.958 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.553 ' CD1' ' HG3' ' A' ' 37' ' ' GLN . 23.8 m-85 -103.46 146.85 27.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -102.53 146.12 28.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.44 169.09 40.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.469 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -125.96 166.31 17.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.744 0.307 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.0 mm . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 121.617 0.722 . . . . 0.0 111.137 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.8 pt -84.23 168.48 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.887 0.375 . . . . 0.0 111.14 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -171.23 155.44 4.29 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.671 0.748 . . . . 0.0 110.857 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.555 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.3 Cg_endo -69.82 166.98 25.86 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.689 2.259 . . . . 0.0 112.329 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.528 HD12 ' CD2' ' A' ' 43' ' ' TYR . 2.1 mm -80.5 -60.83 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 58' ' ' ILE . 29.2 p -34.3 -47.57 0.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.141 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.555 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 18.1 m-85 -55.31 -49.11 73.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 58' ' ' ILE . 14.2 m -102.41 121.34 53.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.161 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -89.99 109.13 20.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 91.0 t -69.55 145.61 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.051 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.1 mt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.066 179.955 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -147.14 150.68 35.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.845 0.355 . . . . 0.0 110.891 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -150.88 161.31 42.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.9 mm -123.02 130.22 74.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.084 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.27 93.37 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.1 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.3 mtmm -55.42 -24.84 32.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -147.4 175.05 11.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -86.54 143.03 27.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.1 t80 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.833 0.349 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 47.4 ttp -108.11 116.6 32.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 84.3 p -83.76 130.69 34.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -131.09 151.51 51.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -88.64 134.14 33.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.5 ttpp -50.89 121.05 5.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.57 -40.18 2.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.478 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -66.52 136.82 56.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.859 0.361 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -71.09 170.93 11.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.2 mt -139.29 109.02 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.1 m -64.02 93.33 0.09 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.6 mt -54.18 134.2 44.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 58.0 mt -117.53 -42.12 2.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -171.57 157.35 4.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.423 ' CD ' ' CE1' ' A' ' 43' ' ' TYR . 57.2 tt0 -99.79 114.55 27.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.2 t -72.49 -67.95 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -110.84 -175.77 2.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.0 mp0 -76.74 -14.61 59.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.519 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 44.8 m-80 -134.13 33.32 3.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.519 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 71.5 m95 -155.24 115.35 3.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.557 ' CD2' HD12 ' A' ' 58' ' ' ILE . 15.1 m-85 -100.18 155.79 17.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -117.23 141.59 48.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -173.28 178.19 45.35 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -123.96 168.46 12.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.319 . . . . 0.0 110.874 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.7 mm . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.638 0.732 . . . . 0.0 111.141 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 38.4 pt -123.15 169.92 13.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.895 0.379 . . . . 0.0 111.115 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -171.9 155.27 3.73 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.609 0.719 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.499 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.5 Cg_endo -69.78 168.62 21.05 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.352 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.557 HD12 ' CD2' ' A' ' 43' ' ' TYR . 1.8 mm -82.97 -58.71 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.074 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 58' ' ' ILE . 63.4 p -35.07 -38.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.499 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 11.8 m-85 -66.12 -49.43 67.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 58' ' ' ILE . 7.3 m -100.05 128.48 51.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.437 ' OD1' ' C ' ' A' ' 62' ' ' ASP . 8.4 t0 -97.75 114.85 26.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 71.2 t -60.03 140.27 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 59.0 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.899 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.444 -0.263 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -135.46 135.42 40.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 0.0 110.906 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -141.16 140.3 34.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.4 mm -113.24 133.12 60.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.083 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.27 111.18 3.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -84.29 -31.04 25.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -132.85 152.16 51.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -61.08 136.1 57.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.493 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . 46.0 t80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.851 0.358 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 41.8 ttp -130.57 81.87 2.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.9 m -51.3 123.04 8.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.894 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.493 ' CE1' ' HB2' ' A' ' 16' ' ' PHE . 5.7 p90 -135.92 160.5 38.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.865 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.8 ttp180 -109.08 147.23 32.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.853 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.1 ttpp -53.32 121.25 7.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.51 -51.36 0.82 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.536 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -59.31 135.91 57.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.806 0.336 . . . . 0.0 110.886 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.402 ' C ' HG13 ' A' ' 32' ' ' ILE . 11.4 ptp180 -74.19 174.99 7.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.402 HG13 ' C ' ' A' ' 31' ' ' ARG . 69.6 mt -146.75 111.67 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.8 m -68.84 82.49 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.4 mt -44.84 111.1 0.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.0 mt -91.33 -42.69 10.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -170.03 -177.17 2.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -120.44 117.31 27.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.9 t -78.21 -64.54 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -112.17 -176.84 3.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -77.83 -17.28 57.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.511 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 16.9 m-80 -130.15 31.27 4.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.511 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 70.2 m95 -154.52 117.2 4.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.969 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.57 ' CD2' HD11 ' A' ' 58' ' ' ILE . 14.3 m-85 -100.74 152.34 20.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.885 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -110.92 144.02 40.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -174.63 169.63 42.62 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -124.79 171.44 10.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.805 0.336 . . . . 0.0 110.889 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 25.5 mm . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.587 0.708 . . . . 0.0 111.133 -179.987 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 30.7 pt -115.07 164.14 11.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.856 0.36 . . . . 0.0 111.117 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -175.01 155.27 1.82 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.663 0.744 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.459 ' HD3' ' CZ3' ' A' ' 42' ' ' TRP . 54.1 Cg_endo -69.7 174.47 9.4 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 2.243 . . . . 0.0 112.373 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.57 HD11 ' CD2' ' A' ' 43' ' ' TYR . 1.8 mm -86.52 -62.21 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.148 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 58' ' ' ILE . 73.3 p -34.16 -39.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -63.69 -49.25 73.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 58' ' ' ILE . 29.7 m -101.45 124.14 55.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -86.9 109.88 19.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 48.8 t -68.64 126.75 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.0 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.143 179.93 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -136.95 161.92 34.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.359 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -166.36 136.8 3.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.078 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.3 mm -110.6 128.78 66.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.23 99.49 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.3 mmmt -63.73 -29.71 70.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -135.67 178.33 7.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -92.22 137.61 32.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 61.1 t80 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.834 0.349 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.441 ' HE1' ' CD1' ' A' ' 47' ' ' ILE . 5.0 tmm? -95.36 127.33 41.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.8 m -98.17 137.96 36.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -130.19 168.08 17.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 ttp85 -105.86 144.96 31.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -58.62 95.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.5 41.05 0.64 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -128.54 148.82 50.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.808 0.337 . . . . 0.0 110.914 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -79.53 140.29 37.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.5 mt -125.93 100.35 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 19.4 m -67.44 91.64 0.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.2 mt -51.87 116.56 2.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 55.5 mt -99.2 -37.89 9.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -171.49 167.96 6.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -110.65 109.58 19.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 91.3 t -68.53 -64.45 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.074 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -115.1 167.82 10.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.849 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -62.77 -23.83 67.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.598 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 16.8 m120 -121.98 30.85 6.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.598 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 54.7 m95 -154.11 117.71 4.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.563 ' CD2' HD11 ' A' ' 58' ' ' ILE . 23.5 m-85 -99.26 149.45 23.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -106.52 151.57 24.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.46 168.75 32.71 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.478 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -123.26 -179.97 4.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.772 0.32 . . . . 0.0 110.852 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.441 ' CD1' ' HE1' ' A' ' 24' ' ' MET . 17.9 mm . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.65 0.738 . . . . 0.0 111.125 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 21.5 pt -127.18 167.58 21.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.834 0.35 . . . . 0.0 111.152 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -175.01 155.12 1.8 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.626 0.727 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.512 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.9 Cg_endo -69.71 176.38 6.81 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.694 2.262 . . . . 0.0 112.309 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.563 HD11 ' CD2' ' A' ' 43' ' ' TYR . 4.5 mm -89.3 -60.4 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 58' ' ' ILE . 24.2 p -34.0 -47.81 0.28 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.512 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 21.1 m-85 -54.44 -54.33 42.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.3 m -99.99 122.21 51.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.168 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.61 106.16 16.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.0 t -66.85 113.64 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.08 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.3 mp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 179.902 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -162.96 142.18 8.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.879 0.371 . . . . 0.0 110.915 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -151.29 145.83 25.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.103 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.1 mm -116.61 131.26 69.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.548 ' HB1' ' CD1' ' A' ' 26' ' ' PHE . . . -68.67 90.4 0.4 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -58.11 -34.41 70.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -131.7 165.63 23.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -83.88 124.78 31.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.536 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . 57.4 t80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.838 0.351 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.1 tmm? -104.82 133.07 50.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 90.5 p -100.52 132.8 45.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.804 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.548 ' CD1' ' HB1' ' A' ' 12' ' ' ALA . 3.0 p90 -128.23 147.86 50.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -84.48 144.31 28.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -56.13 98.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.15 36.67 1.19 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.478 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -114.04 153.09 30.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.813 0.34 . . . . 0.0 110.925 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.462 ' CZ ' ' HB2' ' A' ' 31' ' ' ARG . 15.1 ttm105 -91.48 115.71 28.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.6 mt -109.58 110.01 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.2 m -64.66 105.03 0.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.0 mt -61.95 101.29 0.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.944 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.2 mt -86.09 -61.21 1.8 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.01 -175.03 4.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.634 ' CD ' ' CE1' ' A' ' 43' ' ' TYR . 62.1 tt0 -129.28 97.7 4.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 96.0 t -55.86 -61.78 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.6 157.29 26.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -48.8 -24.96 1.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.541 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 4.9 m120 -123.64 35.31 4.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.541 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 63.2 m95 -154.18 117.95 4.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.634 ' CE1' ' CD ' ' A' ' 37' ' ' GLN . 30.2 m-85 -107.27 128.79 54.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -89.76 128.9 36.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -157.99 171.18 34.96 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -125.83 179.22 5.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.777 0.323 . . . . 0.0 110.838 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.2 mm . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.642 0.734 . . . . 0.0 111.099 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 32.8 pt -108.59 167.89 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 111.119 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.579 ' CE1' ' O ' ' A' ' 43' ' ' TYR . 5.6 p90 -174.94 156.13 1.98 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.609 0.718 . . . . 0.0 110.928 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.56 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.9 Cg_endo -69.77 155.93 64.65 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.622 2.215 . . . . 0.0 112.358 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.467 ' CD1' ' C ' ' A' ' 41' ' ' ASN . 2.6 mm -69.26 -62.06 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 58' ' ' ILE . 25.0 p -34.06 -53.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.56 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 9.6 m-85 -47.03 -56.2 6.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 34.4 m -98.46 120.72 48.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.125 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.1 105.9 18.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.0 p -72.87 119.65 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.2 mp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.169 179.922 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -136.49 159.74 40.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.887 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -163.54 145.65 9.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.3 mm -113.63 137.37 47.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.05 105.45 5.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -78.5 -22.98 46.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -141.99 147.05 36.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -66.02 135.94 55.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.479 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . 18.3 t80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.87 0.367 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 11.5 tmm? -126.96 124.74 40.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.2 m -87.32 126.77 35.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.479 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 29.3 p90 -129.15 154.6 46.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.3 ttt-85 -95.43 143.8 26.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -58.84 130.0 44.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 105.59 -41.29 2.2 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.439 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.44 138.98 58.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.816 0.341 . . . . 0.0 110.922 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -74.87 167.33 22.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 17.2 mt -137.76 108.17 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.3 m -64.46 94.64 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 42.2 mt -55.37 131.78 46.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.1 mt -113.36 -43.68 3.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -168.74 154.98 6.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -93.31 106.06 18.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.46 -59.43 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.143 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -128.13 -177.2 4.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -73.94 -13.32 60.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.496 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 30.9 m-80 -134.35 33.01 3.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.506 ' CZ3' ' HD3' ' A' ' 57' ' ' PRO . 88.5 m95 -158.52 115.03 2.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.557 ' CD2' HD12 ' A' ' 58' ' ' ILE . 14.5 m-85 -100.46 142.62 31.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -103.91 145.76 29.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.67 171.89 44.15 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.512 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.7 ptt85 -114.72 178.4 4.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.872 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 39.1 mm . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.594 0.711 . . . . 0.0 111.161 179.968 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 43.7 pt -116.03 165.46 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 111.148 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -164.54 155.07 12.83 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.623 0.725 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.557 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 54.2 Cg_endo -69.68 165.25 31.49 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.727 2.285 . . . . 0.0 112.332 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.557 HD12 ' CD2' ' A' ' 43' ' ' TYR . 1.8 mm -80.49 -63.15 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 58' ' ' ILE . 24.9 p -33.95 -42.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.136 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.557 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 9.9 m-85 -57.11 -48.74 77.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 58' ' ' ILE . 11.7 m -99.84 143.38 13.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.159 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 62' ' ' ASP . 0.1 OUTLIER -104.57 112.42 25.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 88.7 t -74.04 129.24 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.8 mt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 179.93 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -150.45 143.2 24.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.884 0.374 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -138.56 174.44 10.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.5 mm -143.86 124.08 8.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.6 141.43 48.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.457 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 8.7 mtpt -119.46 -5.87 10.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.457 ' CD1' ' O ' ' A' ' 13' ' ' LYS . 61.3 m-85 -154.38 146.32 23.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -55.61 140.1 42.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.739 ' CD2' ' CE2' ' A' ' 26' ' ' PHE . 41.0 t80 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 . . . . . 0 CA--C 1.527 0.072 0 CA-C-O 120.794 0.331 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.459 ' HB2' ' N ' ' A' ' 54' ' ' GLY . 10.0 tmm? -90.4 127.3 36.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 87.1 p -84.52 141.74 30.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.739 ' CE2' ' CD2' ' A' ' 16' ' ' PHE . 18.8 p90 -143.2 166.18 25.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -120.17 135.82 54.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.41 ' HD3' ' C ' ' A' ' 13' ' ' LYS . 14.8 tptm -45.3 135.68 5.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.88 -21.97 38.66 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.457 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -83.66 132.67 34.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.4 ptt-85 -76.07 166.35 23.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 34' ' ' LEU . 15.7 mt -135.69 109.05 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 40.7 m -61.21 76.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 32' ' ' ILE . 97.4 mt -46.14 113.65 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.6 mt -95.02 -41.45 9.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -168.79 158.57 9.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -95.76 102.0 13.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 73.3 t -57.6 -62.23 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.176 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -120.96 176.96 5.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -67.42 -20.62 65.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.436 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 30.9 m-80 -129.11 31.95 4.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.467 ' N ' HD11 ' A' ' 58' ' ' ILE . 74.7 m95 -153.58 115.65 4.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.562 ' CD2' HD12 ' A' ' 58' ' ' ILE . 17.3 m-85 -100.65 137.83 38.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -98.22 151.27 20.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 176.03 176.73 44.48 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.449 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.0 ptt180 -131.88 165.63 23.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.33 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.6 mm . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 121.568 0.699 . . . . 0.0 111.122 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.459 ' N ' ' HB2' ' A' ' 24' ' ' MET . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 28.9 pt -123.53 169.8 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 0.0 111.087 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.436 ' CZ ' ' O ' ' A' ' 43' ' ' TYR . 27.7 p90 -173.81 154.43 2.31 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.7 0.762 . . . . 0.0 110.858 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.562 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 54.0 Cg_endo -69.77 167.01 25.69 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.718 2.278 . . . . 0.0 112.296 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.562 HD12 ' CD2' ' A' ' 43' ' ' TYR . 2.4 mm -81.32 -63.08 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 58' ' ' ILE . 45.1 p -33.36 -52.53 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.181 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.562 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 21.6 m-85 -47.65 -49.77 26.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.419 HG11 ' CD1' ' A' ' 32' ' ' ILE . 16.8 m -95.47 164.75 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.135 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -125.48 110.3 13.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.9 t -69.34 132.49 33.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.5 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 179.872 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -136.63 151.54 49.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -156.93 164.22 38.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.052 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.0 mt -132.9 137.05 54.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.08 94.67 0.9 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -54.21 -25.0 20.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -144.75 177.68 8.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -91.83 122.23 34.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . 82.4 t80 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.866 0.365 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.4 ttp -106.39 119.63 39.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 89.7 p -82.58 140.75 33.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.549 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 14.3 p90 -141.41 154.12 45.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -103.23 141.63 35.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.842 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.3 tttp -48.56 136.87 12.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.96 -36.39 3.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -58.83 146.2 38.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 -100.54 126.28 46.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.409 ' CD1' HG13 ' A' ' 61' ' ' VAL . 15.7 mt -96.13 118.12 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 34' ' ' LEU . 89.3 m -73.32 82.0 1.38 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 33' ' ' THR . 12.9 mt -35.18 144.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.9 mt -132.41 -46.46 0.9 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -165.48 158.74 16.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -97.52 110.08 22.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.419 ' CG2' ' HB2' ' A' ' 44' ' ' GLU . 58.7 t -72.23 -56.08 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.106 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -127.28 165.48 19.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -57.56 -28.6 63.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.443 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 83.0 m-20 -121.88 31.0 6.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.468 ' N ' HD12 ' A' ' 58' ' ' ILE . 60.5 m95 -151.05 115.89 5.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.57 ' CD2' HD13 ' A' ' 58' ' ' ILE . 9.7 m-85 -99.25 143.41 29.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.419 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 4.6 tt0 -103.66 143.69 32.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.948 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -173.24 170.65 43.8 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -118.85 -176.73 3.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.837 0.351 . . . . 0.0 110.84 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 25.6 mm . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.633 0.73 . . . . 0.0 111.132 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 13.4 pt -131.22 168.06 24.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.879 0.371 . . . . 0.0 111.135 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -174.81 154.32 1.8 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.616 0.722 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.476 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 54.1 Cg_endo -69.71 173.75 10.46 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.57 HD13 ' CD2' ' A' ' 43' ' ' TYR . 2.6 mm -83.83 -61.07 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 58' ' ' ILE . 63.4 p -34.06 -54.43 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.476 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 16.6 m-85 -48.33 -52.54 21.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.871 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.409 HG13 ' CD1' ' A' ' 32' ' ' ILE . 34.2 m -88.14 164.72 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.69 106.12 7.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 62.6 t -61.31 127.51 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.188 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 47.0 mm . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.175 179.916 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -77.33 149.4 35.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.886 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -143.61 153.79 42.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.071 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.2 mm -117.77 135.63 57.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.47 88.12 6.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -57.09 -25.09 58.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -147.77 163.99 34.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -83.95 146.9 27.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.7 t80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.865 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.839 0.352 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.5 tmm? -97.25 127.61 43.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 85.2 p -94.61 155.06 17.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.7 p90 -153.78 158.94 41.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.401 ' C ' ' OE1' ' A' ' 30' ' ' GLU . 12.6 tpt180 -102.44 151.89 21.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -56.49 131.18 47.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.79 -40.01 2.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.401 ' OE1' ' C ' ' A' ' 27' ' ' ARG . 1.6 mp0 -43.76 167.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.875 0.369 . . . . 0.0 110.852 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.422 ' C ' HG13 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -101.3 161.65 13.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.856 -179.892 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.422 HG13 ' C ' ' A' ' 31' ' ' ARG . 79.7 mt -154.98 113.05 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.7 m -83.39 95.35 8.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.4 mt -53.26 134.0 39.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.3 mt -113.17 -43.38 3.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.953 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.414 ' NH1' ' HB3' ' A' ' 36' ' ' ARG . 3.4 ptp180 -161.39 179.96 7.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -120.35 106.57 11.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.5 t -67.22 -58.26 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -125.25 161.97 25.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -56.81 -24.56 51.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.489 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 21.2 m-80 -121.4 30.77 6.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.489 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 76.0 m95 -155.19 116.05 3.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.553 ' CD2' HD13 ' A' ' 58' ' ' ILE . 17.2 m-85 -98.88 146.54 25.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -105.54 148.65 27.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -179.45 169.27 40.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.515 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -114.51 -177.44 3.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.2 mm . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.668 0.747 . . . . 0.0 111.13 179.961 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 37.2 pt -127.08 168.4 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.328 . . . . 0.0 111.185 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.426 ' CE1' HG23 ' A' ' 61' ' ' VAL . 16.7 p90 -169.43 155.54 6.12 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.662 0.744 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.48 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 54.2 Cg_endo -69.69 167.75 23.43 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.24 . . . . 0.0 112.376 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.553 HD13 ' CD2' ' A' ' 43' ' ' TYR . 5.7 mm -85.8 -58.83 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.083 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.0 p -38.29 -31.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.48 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 9.7 m-85 -71.02 -48.88 50.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.426 HG23 ' CE1' ' A' ' 56' ' ' PHE . 34.0 m -112.09 126.8 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.129 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.28 105.33 17.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.6 p -68.81 127.16 30.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.2 mp . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.913 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -115.97 139.48 50.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.85 0.357 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -140.46 164.36 30.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.9 mm -132.84 127.97 56.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.116 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 27' ' ' ARG . . . -64.8 100.38 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.139 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.557 ' O ' ' CD2' ' A' ' 14' ' ' PHE . 1.5 mmmm -68.04 -11.49 59.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.557 ' CD2' ' O ' ' A' ' 13' ' ' LYS . 82.9 m-85 -162.54 159.42 24.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -70.81 150.42 45.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.0 t80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.97 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.874 0.369 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.5 ttp -100.45 110.85 23.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.4 t -72.52 158.1 36.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -161.7 157.47 24.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.478 ' O ' ' CB ' ' A' ' 12' ' ' ALA . 31.3 mtm-85 -96.66 -178.67 4.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.4 tttt -81.89 127.27 32.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.21 -28.19 12.68 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.484 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -48.78 151.55 1.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.814 0.34 . . . . 0.0 110.921 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.409 ' C ' HG13 ' A' ' 32' ' ' ILE . 14.1 mtp180 -85.75 158.93 19.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.409 HG13 ' C ' ' A' ' 31' ' ' ARG . 86.3 mt -154.22 106.1 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 85.5 m -72.24 106.16 4.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 28.2 mt -59.18 109.49 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.6 mt -87.86 -45.41 10.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -168.54 161.63 11.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -99.64 99.65 10.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.6 t -62.13 -59.35 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.087 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -124.78 171.62 9.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -64.44 -23.65 67.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.414 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 3.6 m-80 -123.7 29.93 6.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.44 ' N ' HD12 ' A' ' 58' ' ' ILE . 69.4 m95 -151.97 119.49 6.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.594 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 8.9 m-85 -106.67 134.63 49.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.437 ' HG2' ' N ' ' A' ' 45' ' ' GLY . 32.3 tt0 -96.4 157.33 15.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.437 ' N ' ' HG2' ' A' ' 44' ' ' GLU . . . 171.27 175.46 39.73 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.476 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.29 -179.16 3.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.813 0.34 . . . . 0.0 110.867 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.9 mm . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 121.609 0.719 . . . . 0.0 111.145 179.968 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 15.0 pt -117.0 169.79 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.913 0.387 . . . . 0.0 111.087 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.594 ' CE1' ' O ' ' A' ' 43' ' ' TYR . 16.2 p90 -174.13 153.78 2.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.691 0.757 . . . . 0.0 110.872 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.459 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.7 Cg_endo -69.79 166.93 25.97 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.642 2.228 . . . . 0.0 112.355 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.503 HD11 ' CD2' ' A' ' 43' ' ' TYR . 3.9 mm -84.22 -60.3 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 58' ' ' ILE . 24.4 p -34.75 -39.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.459 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 15.2 m-85 -63.43 -47.03 83.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' A' ' 58' ' ' ILE . 34.5 m -107.73 121.97 61.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.151 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -88.28 121.68 30.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 98.2 t -80.26 119.47 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 56.4 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.925 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -117.92 159.7 22.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.929 0.395 . . . . 0.0 110.843 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.27 156.9 29.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.063 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.5 mm -129.25 130.92 67.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.28 117.35 11.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -75.53 -36.53 60.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -134.24 -176.36 4.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -94.41 128.51 41.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.533 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . 29.7 t80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.859 0.361 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.9 tmm? -131.36 138.47 49.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.6 p -101.64 124.93 48.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.533 ' CE1' ' HB2' ' A' ' 16' ' ' PHE . 2.2 p90 -124.19 148.16 47.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -87.29 138.35 31.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -56.47 99.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 134.14 -36.41 2.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.505 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -71.91 133.14 45.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.369 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.3 ptt180 -65.59 171.98 3.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.1 mt -136.34 107.44 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.183 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.1 m -62.36 91.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.161 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 44.2 mt -53.69 104.64 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.413 HD22 ' NH1' ' A' ' 46' ' ' ARG . 18.2 mt -86.55 -43.66 12.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -169.61 166.12 10.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -103.65 104.75 14.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.84 -62.61 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.1 174.89 7.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -64.53 -18.4 64.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.589 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 25.1 m-80 -131.47 39.07 3.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.589 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 74.9 m95 -159.15 110.6 2.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.561 ' CD2' HD13 ' A' ' 58' ' ' ILE . 13.8 m-85 -95.51 141.8 28.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -101.73 141.88 33.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 177.91 162.23 27.51 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.471 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.413 ' NH1' HD22 ' A' ' 35' ' ' LEU . 7.0 ptp85 -123.22 176.67 5.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 110.855 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.4 mm . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.628 0.727 . . . . 0.0 111.127 179.984 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 32.2 pt -126.92 169.38 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.891 0.377 . . . . 0.0 111.121 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 16.7 p90 -175.04 155.02 1.78 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.603 0.715 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.565 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.6 Cg_endo -69.79 165.38 31.2 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.664 2.242 . . . . 0.0 112.356 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.561 HD13 ' CD2' ' A' ' 43' ' ' TYR . 3.0 mm -75.38 -62.91 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 58' ' ' ILE . 36.7 p -33.44 -50.74 0.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.168 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.565 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 8.8 m-85 -49.19 -47.69 45.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 58' ' ' ILE . 22.2 m -96.75 157.07 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.132 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.89 115.27 22.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.0 t -75.11 133.43 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 48.0 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 179.922 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -70.56 -55.58 8.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.895 0.379 . . . . 0.0 110.845 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.7 m -121.14 129.64 53.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.823 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.57 110.82 2.31 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.1 p -162.19 149.85 14.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.82 0.343 . . . . 0.0 110.873 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t -99.4 154.0 18.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.36 -98.75 0.25 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.493 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 163.23 -167.2 37.42 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.487 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -130.18 150.14 51.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.903 0.382 . . . . 0.0 110.846 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -146.57 167.85 22.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.077 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.8 mm -132.86 125.53 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.98 99.5 0.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -60.77 -24.6 65.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -147.61 -179.09 6.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -91.3 140.85 29.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.418 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . 31.0 t80 -115.24 136.28 53.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.823 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.425 ' O ' ' CG ' ' A' ' 17' ' ' ASN . 6.2 p30 -120.69 88.43 2.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.41 145.69 32.1 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.533 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -106.49 -35.82 6.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 0.0 110.823 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 50.1 p -99.14 147.57 24.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -50.74 -43.41 58.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 98.5 t -49.05 -41.32 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.113 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -80.39 153.03 28.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -124.4 138.72 54.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 89.1 p -100.71 141.15 33.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.418 ' CE1' ' HB2' ' A' ' 16' ' ' PHE . 4.5 p90 -139.24 149.03 43.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 68.1 ttt180 -91.55 143.68 26.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.3 tttp -51.73 118.96 3.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.43 -32.72 7.04 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.445 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -51.51 145.04 9.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.79 0.328 . . . . 0.0 110.908 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -86.01 122.11 29.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 33.3 mt -102.31 103.08 14.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.9 m -65.16 90.66 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 52.9 mt -52.35 127.6 22.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.958 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.5 mt -111.15 -51.09 2.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -163.13 155.75 18.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.5 ' CD ' ' CE1' ' A' ' 43' ' ' TYR . 59.8 tt0 -95.31 115.77 27.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.2 t -69.65 -65.48 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -118.84 -175.41 2.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -71.83 -21.18 61.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.551 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 57.1 m-20 -129.74 37.8 3.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.551 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 82.3 m95 -158.37 115.62 2.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.557 ' CD2' HD13 ' A' ' 58' ' ' ILE . 10.2 m-85 -102.78 147.06 27.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.938 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -105.96 150.31 25.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 175.94 165.57 32.02 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.496 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.0 ptt85 -114.17 174.23 6.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.329 . . . . 0.0 110.862 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.469 ' CG2' ' HD2' ' A' ' 48' ' ' PRO . 48.9 mm -123.19 138.51 30.01 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.673 0.749 . . . . 0.0 111.128 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.469 ' HD2' ' CG2' ' A' ' 47' ' ' ILE . 53.7 Cg_endo -69.74 128.36 15.93 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.716 2.277 . . . . 0.0 112.344 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.42 -34.35 5.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.461 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 41.6 p -105.55 -10.01 17.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.789 0.328 . . . . 0.0 111.153 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.8 m 40.77 34.32 0.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 -79.35 165.4 23.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -154.24 138.31 16.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 177.62 -149.94 9.67 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.1 pt -125.55 168.53 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 0.0 111.131 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -172.8 155.77 3.12 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.684 0.754 . . . . 0.0 110.859 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.559 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.4 Cg_endo -69.82 163.74 37.18 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.557 HD13 ' CD2' ' A' ' 43' ' ' TYR . 2.0 mm -78.04 -63.27 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.144 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 58' ' ' ILE . 1.6 p -34.07 -37.76 0.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.559 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 7.5 m-85 -62.01 -51.39 68.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 58' ' ' ILE . 4.1 m -102.21 136.81 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.156 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -108.64 106.73 16.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.1 p -77.64 143.21 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.1 mp -85.06 -43.25 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.4 t -69.44 92.87 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -164.95 -158.98 10.81 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.468 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 175.89 7.51 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.731 2.288 . . . . 0.0 112.337 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.5 t -90.82 135.28 33.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.834 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.8 t -145.19 140.79 28.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.487 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.1 p -161.87 135.18 6.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 110.854 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.7 m -99.81 97.21 8.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.18 128.92 4.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.506 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 t -85.9 98.98 11.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 0.0 110.857 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 m -75.22 -44.62 45.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.837 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.62 -88.24 1.36 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.522 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 173.62 -159.43 29.22 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -146.73 131.56 18.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.886 0.374 . . . . 0.0 110.895 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -132.24 147.43 52.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.8 mm -111.44 129.39 66.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.6 91.51 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.044 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -51.61 -40.88 60.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -133.9 178.83 6.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -89.7 137.02 32.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -112.78 133.95 54.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -116.33 81.99 1.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.54 122.35 14.39 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -78.47 -41.58 32.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.864 0.364 . . . . 0.0 110.849 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.3 p -81.29 158.95 24.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.119 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.425 ' HG3' ' N ' ' A' ' 22' ' ' VAL . 27.6 pt20 -65.73 -44.73 85.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.425 ' N ' ' HG3' ' A' ' 21' ' ' GLN . 6.7 p -52.44 -41.59 36.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.111 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -65.94 128.71 37.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 31.4 ttp -99.27 99.76 10.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.1 p -67.61 148.75 50.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -149.81 162.68 39.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.9 mtm180 -104.8 159.21 15.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -60.68 144.54 51.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.0 -38.98 3.13 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.526 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -43.85 157.52 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -114.86 118.81 34.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.6 mt -100.43 114.72 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 37.1 m -69.14 86.5 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.1 mt -42.9 137.82 2.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.962 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 53.7 mt -124.53 -49.36 1.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -158.75 173.24 16.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -118.01 108.22 14.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.0 t -65.94 -69.82 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -106.75 -179.5 3.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -76.29 -12.46 60.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.526 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 12.3 m-80 -133.85 33.05 3.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.526 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 69.3 m95 -154.83 117.35 4.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.56 ' CD2' HD12 ' A' ' 58' ' ' ILE . 9.6 m-85 -99.15 145.88 26.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -105.91 157.24 17.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 172.83 175.43 40.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.45 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -127.59 173.31 9.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.788 0.328 . . . . 0.0 110.874 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.457 ' CG2' ' HD2' ' A' ' 48' ' ' PRO . 49.2 mm -122.99 138.1 29.2 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.58 0.705 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.457 ' HD2' ' CG2' ' A' ' 47' ' ' ILE . 53.9 Cg_endo -69.78 138.14 37.08 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.697 2.265 . . . . 0.0 112.329 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.56 -39.67 3.11 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.461 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.9 p -96.99 -23.3 16.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.821 0.343 . . . . 0.0 111.124 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 72.1 m 50.29 40.2 21.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 45.4 mtp180 -95.06 129.7 42.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -118.59 138.16 52.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -169.27 -144.82 4.38 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.447 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 27.0 pt -134.98 163.3 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.915 0.388 . . . . 0.0 111.145 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -169.04 154.85 6.23 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.607 0.718 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.415 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.6 Cg_endo -69.78 177.0 6.03 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.634 2.222 . . . . 0.0 112.375 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.56 HD12 ' CD2' ' A' ' 43' ' ' TYR . 4.1 mm -90.57 -60.35 2.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 58' ' ' ILE . 57.7 p -34.36 -46.53 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.415 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 21.1 m-85 -57.03 -53.46 57.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 25.9 m -103.6 120.94 54.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.088 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.83 105.41 17.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.5 p -74.84 131.66 34.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.9 mp -89.13 -48.15 14.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.6 t -74.52 115.77 14.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -176.66 146.23 7.82 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.513 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 91.78 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.689 2.259 . . . . 0.0 112.335 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 88.2 p -77.39 133.09 38.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -120.73 15.34 11.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.82 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.467 -179.954 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -40.43 159.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.857 0.361 . . . . 0.0 110.855 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.4 p -172.47 151.29 2.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.54 -91.95 1.4 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.519 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t -132.6 134.79 45.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.926 0.393 . . . . 0.0 110.793 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.6 p -91.64 -48.7 6.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.892 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.48 -87.42 0.7 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -175.87 175.41 47.33 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.515 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -124.12 154.9 39.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.829 0.347 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -143.28 162.35 35.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.3 mm -124.83 118.91 54.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.49 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . . . -66.66 91.98 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -55.33 -33.7 63.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -142.65 144.81 32.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.46 ' ND2' ' HA ' ' A' ' 27' ' ' ARG . 24.0 t-20 -63.8 125.13 23.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.867 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . 89.2 t80 -95.88 131.27 42.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -99.99 82.78 2.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.26 133.18 21.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.55 -38.34 5.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.878 0.37 . . . . 0.0 110.85 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.6 p -95.09 148.66 22.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -50.49 -57.78 7.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.474 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 17.0 m -38.99 -42.92 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.154 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.455 ' N ' HG22 ' A' ' 22' ' ' VAL . 67.9 mt-10 -80.56 141.04 35.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 12.2 tmm? -110.86 133.77 53.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 96.4 p -93.58 135.93 34.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 9.1 p90 -133.48 156.54 47.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.46 ' HA ' ' ND2' ' A' ' 15' ' ' ASN . 11.9 ttt180 -95.76 148.76 22.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -54.9 111.67 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.18 -35.27 4.94 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -42.29 156.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -106.07 109.99 22.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.498 HD11 ' CD2' ' A' ' 26' ' ' PHE . 74.6 mt -93.21 110.34 23.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 48.3 m -63.88 92.74 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.087 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.4 mt -52.48 118.49 3.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.1 mt -99.41 -41.5 7.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -169.96 174.64 5.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -114.85 102.78 10.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.7 t -63.4 -68.26 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -109.49 163.21 13.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -60.48 -21.12 62.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.565 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 2.3 m-80 -124.5 33.84 5.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.565 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 70.2 m95 -156.35 118.4 3.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.562 ' CD2' HD11 ' A' ' 58' ' ' ILE . 19.3 m-85 -102.03 140.9 35.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -98.69 157.44 16.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 174.7 162.3 25.99 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -121.22 171.01 9.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.787 0.327 . . . . 0.0 110.888 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.472 ' CG2' ' HD2' ' A' ' 48' ' ' PRO . 48.5 mm -118.82 138.53 26.1 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.602 0.715 . . . . 0.0 111.172 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 47' ' ' ILE . 54.3 Cg_endo -69.71 130.13 18.85 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.725 2.283 . . . . 0.0 112.379 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.61 -37.03 3.57 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.517 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.6 p -103.87 -20.14 14.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.782 0.325 . . . . 0.0 111.15 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 t 48.08 40.48 13.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 24.5 mtt85 -84.84 112.01 20.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -102.67 124.73 48.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.474 ' CA ' ' O ' ' A' ' 22' ' ' VAL . . . -162.83 -159.49 10.44 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.496 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 23.4 pt -123.81 168.74 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.874 0.369 . . . . 0.0 111.146 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.476 ' C ' ' CE3' ' A' ' 42' ' ' TRP . 15.8 p90 -172.93 154.84 2.85 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.63 0.728 . . . . 0.0 110.893 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.529 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.6 Cg_endo -69.73 176.98 6.03 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.693 2.262 . . . . 0.0 112.348 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.562 HD11 ' CD2' ' A' ' 43' ' ' TYR . 4.4 mm -90.44 -60.65 2.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 58' ' ' ILE . 60.9 p -36.09 -30.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.12 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.529 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 11.6 m-85 -72.33 -48.29 43.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.933 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.47 ' N ' ' O ' ' A' ' 58' ' ' ILE . 5.8 m -111.47 136.63 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.113 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -107.07 111.59 24.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.8 p -78.47 136.71 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.137 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.2 mp -86.39 -45.53 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.3 t -60.74 115.59 3.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 125.48 -162.4 19.75 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.447 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.87 97.49 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.647 2.231 . . . . 0.0 112.352 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 93.7 p -137.39 118.89 14.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.8 t -65.41 133.63 51.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.518 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -55.49 111.5 0.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.902 0.382 . . . . 0.0 110.855 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.0 t -48.04 -57.51 5.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.82 -66.35 3.13 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.457 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -96.16 90.56 5.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.907 0.385 . . . . 0.0 110.906 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.6 p -114.29 104.32 11.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.822 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.8 -75.63 0.49 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.465 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -155.41 -178.41 29.62 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -134.32 129.04 34.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.876 0.369 . . . . 0.0 110.867 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -131.57 151.42 51.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.7 mm -123.75 124.34 69.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.115 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.57 101.03 0.73 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -67.8 -20.65 65.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -145.37 170.16 16.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -86.89 135.01 33.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -111.82 128.78 56.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -115.89 79.55 1.32 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.46 127.96 26.83 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -80.6 -42.76 21.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.872 0.367 . . . . 0.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.0 p -87.94 149.58 23.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.186 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -56.16 -47.9 77.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.2 p -46.29 -29.16 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -85.66 129.43 34.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 31.7 ttp -94.36 118.3 31.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.9 p -84.89 147.65 26.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -151.92 159.13 43.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -104.57 149.47 25.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -50.71 147.95 4.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.28 -40.07 3.01 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -47.05 158.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.2 ttm180 -114.6 128.72 56.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 69.6 mt -108.63 110.55 32.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 47.5 m -62.25 91.33 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.2 mt -42.39 135.99 2.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.457 ' CD1' ' HA2' ' A' ' 45' ' ' GLY . 11.2 mt -123.34 -55.62 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -155.46 -177.44 6.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -120.53 102.23 8.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.8 t -63.84 -67.28 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -112.21 168.0 9.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -62.81 -15.59 54.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.599 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 16.1 m-80 -133.35 33.42 3.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 59.2 m95 -154.87 115.69 3.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.569 ' CD2' HD13 ' A' ' 58' ' ' ILE . 28.7 m-85 -98.1 144.63 27.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.97 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -101.34 148.7 24.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.457 ' HA2' ' CD1' ' A' ' 35' ' ' LEU . . . -174.91 171.62 44.75 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.551 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.9 ptt85 -122.62 177.2 5.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.357 . . . . 0.0 110.849 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.452 ' CG2' ' HD2' ' A' ' 48' ' ' PRO . 28.8 mm -114.54 138.19 23.04 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.641 0.734 . . . . 0.0 111.155 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.452 ' HD2' ' CG2' ' A' ' 47' ' ' ILE . 53.5 Cg_endo -69.78 136.56 33.23 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.656 2.237 . . . . 0.0 112.355 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 97.02 -39.71 2.72 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 51.6 p -116.78 -179.77 3.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.767 0.318 . . . . 0.0 111.151 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.0 t -117.07 48.56 1.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.7 mtp-105 -99.46 122.46 42.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -135.44 159.25 42.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 177.86 -126.29 1.07 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.465 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 24.3 pt -147.11 168.42 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.363 . . . . 0.0 111.138 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.467 ' CE1' HG22 ' A' ' 61' ' ' VAL . 17.9 p90 -173.71 154.22 2.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.683 0.754 . . . . 0.0 110.877 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.564 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.6 Cg_endo -69.79 176.69 6.45 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.689 2.259 . . . . 0.0 112.308 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.569 HD13 ' CD2' ' A' ' 43' ' ' TYR . 4.9 mm -86.05 -61.59 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.111 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 58' ' ' ILE . 35.1 p -34.77 -48.02 0.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.564 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 17.8 m-85 -54.0 -55.91 22.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.467 HG22 ' CE1' ' A' ' 56' ' ' PHE . 30.5 m -98.2 121.22 48.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.093 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -90.69 111.58 22.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.6 t -73.68 121.35 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.9 mp -74.01 -61.0 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 96.5 p -46.54 -28.81 1.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.83 -158.17 30.19 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.472 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 93.76 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.644 2.229 . . . . 0.0 112.33 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.1 m -76.68 111.49 12.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 80.0 p -108.17 97.89 7.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.501 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.9 m -139.26 165.5 27.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.876 0.37 . . . . 0.0 110.808 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -103.44 87.45 2.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.865 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.76 139.82 0.13 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.515 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.7 p -54.94 166.05 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.857 0.361 . . . . 0.0 110.877 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.2 t -78.26 125.19 29.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.826 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.41 -86.38 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.431 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 173.48 178.3 43.34 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -137.21 138.65 40.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.33 . . . . 0.0 110.931 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -146.06 168.66 20.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.2 mm -130.86 131.87 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.7 104.99 2.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.065 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.474 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 26.8 mtpp -68.48 -18.38 64.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.474 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 96.9 m-85 -159.83 172.84 16.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -80.95 136.94 36.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.508 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . 13.4 t80 -121.51 85.54 2.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -77.65 81.54 4.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.06 161.62 49.63 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.444 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -111.22 -51.82 2.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.862 0.363 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.8 p -74.56 131.74 41.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.158 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -40.05 -51.33 2.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.4 t -45.28 -41.11 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -77.5 121.39 23.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.1 tmm? -94.7 135.71 35.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.6 t -95.97 154.16 17.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.508 ' CE1' ' HB2' ' A' ' 16' ' ' PHE . 2.4 p90 -148.83 153.75 38.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 -102.28 137.63 40.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.0 ttpt -41.56 123.3 2.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.59 -42.56 1.87 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -44.26 149.32 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.341 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -91.01 144.79 25.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.829 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.2 mt -125.86 108.66 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.3 m -75.08 90.34 2.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 72.2 mt -49.01 130.34 18.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 30.7 mt -115.21 -50.08 2.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -156.88 161.6 39.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -109.01 98.8 8.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 80.9 t -58.54 -63.83 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -114.82 173.47 6.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.816 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -69.65 -17.6 63.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.418 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 30.0 m120 -127.45 27.63 5.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.418 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 55.5 m95 -149.51 120.89 7.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.488 ' O ' ' CZ ' ' A' ' 56' ' ' PHE . 10.4 m-85 -107.4 131.68 54.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -99.42 135.51 40.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -166.69 174.75 42.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.524 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.7 ptt-85 -123.95 178.24 5.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 110.885 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.47 ' CG2' ' HD2' ' A' ' 48' ' ' PRO . 24.8 mm -114.54 138.59 23.23 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.61 0.719 . . . . 0.0 111.149 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 47' ' ' ILE . 54.5 Cg_endo -69.72 118.27 5.58 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.682 2.255 . . . . 0.0 112.356 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.55 -47.83 1.0 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.4 p -101.04 178.24 4.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.795 0.331 . . . . 0.0 111.144 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.5 m -108.62 42.53 1.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.824 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -95.78 104.38 16.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.494 ' OE1' ' N ' ' A' ' 54' ' ' GLY . 1.0 OUTLIER -138.32 139.16 38.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.971 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.494 ' N ' ' OE1' ' A' ' 53' ' ' GLN . . . 177.67 -149.08 9.06 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.526 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 35.0 pt -110.0 165.1 5.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.888 0.375 . . . . 0.0 111.13 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.488 ' CZ ' ' O ' ' A' ' 43' ' ' TYR . 17.1 p90 -174.88 154.76 1.82 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.655 0.74 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.516 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.7 Cg_endo -69.73 161.01 47.58 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.664 2.243 . . . . 0.0 112.381 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.485 HD12 ' CD2' ' A' ' 43' ' ' TYR . 1.5 mm -79.14 -62.18 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.155 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 58' ' ' ILE . 32.4 p -34.06 -35.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.516 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 8.8 m-85 -65.08 -53.93 37.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' A' ' 58' ' ' ILE . 35.2 m -94.64 150.68 3.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.169 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.82 105.5 12.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.0 p -83.53 128.79 38.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.9 mp -87.18 -69.55 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.166 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.9 t -64.11 97.19 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 173.34 -96.85 0.11 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.453 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -1.9 9.25 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.657 2.238 . . . . 0.0 112.356 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.0 t -84.54 133.41 34.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.4 m -70.05 104.76 2.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 3' ' ' SER . 40.2 m -87.4 111.62 21.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.881 0.372 . . . . 0.0 110.829 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 2' ' ' SER . 22.7 t -38.26 126.02 1.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.58 -175.51 8.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.461 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t 56.03 40.47 30.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.885 0.374 . . . . 0.0 110.88 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.1 p -60.92 152.29 27.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.72 73.24 0.23 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -132.69 130.47 5.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.495 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -125.58 -175.05 3.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.888 0.375 . . . . 0.0 110.896 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -172.0 148.87 2.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.073 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.5 mm -117.29 127.22 74.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.472 ' CB ' ' CD1' ' A' ' 26' ' ' PHE . . . -69.72 106.19 3.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -57.99 -33.28 68.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -142.0 179.94 6.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -84.6 148.85 26.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.481 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . 85.8 t80 -127.63 156.99 41.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -131.05 107.03 8.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.23 105.48 1.92 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.509 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -65.33 -37.1 86.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.889 0.376 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.4 p -110.85 170.61 7.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.089 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -69.47 -41.56 76.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.419 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 3.3 p -57.06 -20.0 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -94.6 140.85 29.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 8.3 tmm? -109.28 140.9 42.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.2 p -100.76 141.95 32.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.481 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 13.6 p90 -133.73 158.26 43.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -100.21 151.86 20.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.1 ttpt -64.19 106.25 1.04 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 105.52 35.71 3.01 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.486 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -119.81 162.38 19.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.815 0.341 . . . . 0.0 110.914 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -93.67 147.0 23.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 85.1 mt -130.87 109.75 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.178 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 83.7 m -69.53 95.57 0.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 mt -58.56 125.95 25.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.1 mt -113.46 -35.95 5.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -173.29 173.52 3.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -117.9 105.62 12.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 79.4 t -65.3 -61.26 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -117.14 164.07 15.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -64.21 -13.03 46.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -130.32 20.11 5.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.463 ' N ' HD13 ' A' ' 58' ' ' ILE . 60.1 m95 -144.02 118.86 9.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.563 ' CD2' HD11 ' A' ' 58' ' ' ILE . 7.1 m-85 -99.68 145.35 27.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -109.71 140.19 43.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -172.36 170.37 43.41 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -122.19 163.22 19.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.831 0.348 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.47 ' CG2' ' HD2' ' A' ' 48' ' ' PRO . 11.4 mm -111.66 138.6 21.57 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.621 0.724 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 47' ' ' ILE . 53.9 Cg_endo -69.68 124.35 11.03 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.659 2.239 . . . . 0.0 112.355 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.27 -42.5 1.89 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.505 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 51' ' ' SER . 32.7 p -99.01 -7.43 26.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.815 0.341 . . . . 0.0 111.184 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 50' ' ' THR . 11.9 m 36.9 37.27 0.06 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 44.9 mtp180 -85.75 124.49 32.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -115.78 148.5 39.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.953 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.419 ' CA ' ' O ' ' A' ' 22' ' ' VAL . . . 173.44 -150.38 12.04 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.517 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.6 pt -128.02 163.63 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 111.151 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -170.13 154.15 4.9 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.632 0.73 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.5 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.7 Cg_endo -69.75 173.4 11.03 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.391 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.563 HD11 ' CD2' ' A' ' 43' ' ' TYR . 2.8 mm -90.0 -61.35 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.101 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 58' ' ' ILE . 24.9 p -34.09 -38.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.5 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 12.9 m-85 -62.27 -52.87 61.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.955 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.415 ' N ' ' O ' ' A' ' 58' ' ' ILE . 18.0 m -97.52 137.1 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.163 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.18 109.36 21.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 71.6 t -73.42 138.0 22.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.096 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.6 mp -90.99 -55.3 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.2 t -57.13 106.33 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 174.75 -96.86 0.11 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 68' ' ' SER . 53.3 Cg_endo -69.78 -6.66 19.14 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.688 2.259 . . . . 0.0 112.315 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 67' ' ' PRO . 38.6 t -34.56 131.52 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.3 m -114.1 133.54 55.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.824 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.526 179.966 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.1 t -107.59 124.07 49.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 110.856 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.7 p -121.34 -54.22 1.99 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.81 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.22 -170.32 34.96 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.4 p -105.95 120.57 42.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.886 0.374 . . . . 0.0 110.846 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 7' ' ' GLY . 21.4 m -44.57 124.52 4.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -35.06 -70.23 0.18 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.503 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 173.49 -132.37 2.3 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -150.08 139.39 21.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 0.0 110.944 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -141.07 151.21 43.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.078 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.1 mm -113.78 135.77 52.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.96 108.82 11.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.5 mmmt -70.69 -25.45 62.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -148.17 -176.13 5.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -96.82 135.29 39.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.492 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . 69.3 t80 -116.44 137.83 51.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -120.1 81.98 1.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -51.31 130.06 33.17 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.523 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.38 -36.65 20.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.909 0.385 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.4 p -99.18 167.33 10.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -65.93 -52.83 46.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.6 p -49.15 -19.98 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -88.72 133.67 34.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.414 ' SD ' ' C ' ' A' ' 24' ' ' MET . 6.0 tmm? -105.14 127.11 52.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.7 m -86.67 141.17 29.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 17.6 p90 -137.4 152.65 49.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -103.55 136.06 43.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -42.39 132.79 3.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.57 -38.95 2.93 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -43.46 158.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.866 0.365 . . . . 0.0 110.9 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.5 ttp85 -103.95 107.15 17.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.841 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.484 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 52.0 mt -90.99 104.66 15.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.071 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.2 m -69.2 90.84 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.187 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.1 mt -47.09 126.51 9.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.7 mt -108.95 -47.17 3.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.488 ' O ' ' CB ' ' A' ' 44' ' ' GLU . 31.3 ptt180 -170.13 155.78 5.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -92.71 113.69 26.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.6 t -75.45 -62.37 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -113.09 164.96 12.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -56.59 -24.5 48.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.54 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 3.4 m-80 -127.9 34.86 4.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.867 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.54 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 60.7 m95 -153.55 116.69 4.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.564 ' CE2' HD13 ' A' ' 58' ' ' ILE . 19.7 m-85 -100.59 153.44 19.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.488 ' CB ' ' O ' ' A' ' 36' ' ' ARG . 21.3 tt0 -107.68 150.19 27.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.74 169.0 40.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.0 ptt180 -128.5 161.69 28.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.332 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.468 ' CG2' ' HD2' ' A' ' 48' ' ' PRO . 5.4 mm -108.02 137.76 19.91 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.584 0.707 . . . . 0.0 111.141 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.468 ' HD2' ' CG2' ' A' ' 47' ' ' ILE . 53.9 Cg_endo -69.74 123.3 9.97 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.67 2.247 . . . . 0.0 112.397 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.49 -42.88 1.79 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.485 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.495 ' O ' ' N ' ' A' ' 52' ' ' ARG . 60.9 p -101.43 -3.24 29.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.771 0.319 . . . . 0.0 111.105 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 50' ' ' THR . 44.7 m 35.98 30.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.814 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 50' ' ' THR . 17.6 mtp180 -74.78 116.59 15.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -109.76 136.06 49.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -172.74 -149.01 6.52 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 24.0 pt -130.57 169.89 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.935 0.398 . . . . 0.0 111.1 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.484 ' CZ ' HG21 ' A' ' 32' ' ' ILE . 12.5 p90 -175.03 155.11 1.79 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.691 0.758 . . . . 0.0 110.849 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.497 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.8 Cg_endo -69.74 -179.76 3.13 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.682 2.255 . . . . 0.0 112.384 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.564 HD13 ' CE2' ' A' ' 43' ' ' TYR . 4.0 mm -91.23 -59.3 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 58' ' ' ILE . 40.7 p -34.08 -43.92 0.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.497 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 15.5 m-85 -58.49 -52.09 67.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.442 HG11 ' CD1' ' A' ' 32' ' ' ILE . 15.4 m -105.74 121.55 58.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.148 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -93.4 80.53 4.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.3 p -49.76 126.52 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.108 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.8 mp -71.96 -52.26 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.4 t -60.9 92.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -170.53 -175.81 39.52 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.52 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 115.15 3.95 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.709 2.273 . . . . 0.0 112.329 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 t -71.72 -43.82 65.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.5 m -68.97 83.41 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.457 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.6 m -142.56 155.23 44.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.369 . . . . 0.0 110.893 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -85.58 143.45 28.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.835 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.89 167.64 41.45 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.511 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -139.37 140.45 37.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.368 . . . . 0.0 110.87 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.9 p -75.19 145.41 42.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.853 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.03 -71.98 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.481 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -171.37 171.76 44.15 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.506 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -135.23 166.95 21.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.849 0.357 . . . . 0.0 110.9 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.2 159.42 42.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.3 mm -110.93 124.04 67.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.418 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . . . -70.43 95.39 1.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.525 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 1.4 mmmm -61.09 -22.67 64.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.525 ' CD1' ' O ' ' A' ' 13' ' ' LYS . 48.1 m-85 -152.61 178.41 9.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -96.9 134.6 40.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -105.94 139.84 39.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -106.77 80.51 1.46 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -47.25 173.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.471 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -134.3 -56.85 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.817 0.342 . . . . 0.0 110.852 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.3 p -99.99 178.37 4.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.154 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -63.7 -54.08 41.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.479 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 12.7 p -47.94 -30.61 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -82.75 136.46 34.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.9 tmm? -114.36 134.86 54.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.6 p -102.57 137.57 40.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.418 ' CD2' ' HB3' ' A' ' 12' ' ' ALA . 7.0 p90 -126.86 170.49 12.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 28' ' ' LYS . 54.8 ttt180 -116.57 136.51 52.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.845 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 27' ' ' ARG . 22.8 tttp -37.15 130.3 0.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.43 -42.13 2.49 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.441 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -40.31 144.41 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.377 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -98.29 119.64 37.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.901 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 28.7 mt -103.89 101.3 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 37.4 m -64.56 92.47 0.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.2 mt -50.89 122.53 7.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.5 mt -107.36 -48.64 3.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -155.67 159.03 39.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.492 ' HG3' ' CD1' ' A' ' 43' ' ' TYR . 66.0 tt0 -105.82 118.82 37.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 66.2 t -72.62 -63.08 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -120.46 -176.2 3.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -71.79 -21.25 61.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.458 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 26.3 m120 -127.61 36.05 4.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.458 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 86.9 m95 -157.06 119.79 3.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.492 ' CD1' ' HG3' ' A' ' 37' ' ' GLN . 14.3 m-85 -109.03 138.77 44.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.927 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -103.35 139.67 38.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.83 -177.95 37.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.444 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.3 ptt180 -130.57 164.82 24.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.803 0.335 . . . . 0.0 110.838 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.467 ' CG2' ' HD2' ' A' ' 48' ' ' PRO . 38.9 mm -111.02 138.68 21.25 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.613 0.721 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.467 ' HD2' ' CG2' ' A' ' 47' ' ' ILE . 54.6 Cg_endo -69.73 -44.84 1.86 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.423 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.428 ' C ' HG23 ' A' ' 50' ' ' THR . . . -69.65 -24.61 76.17 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.473 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.428 HG23 ' C ' ' A' ' 49' ' ' GLY . 82.4 p -143.43 135.13 26.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.79 0.329 . . . . 0.0 111.132 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 44.8 m -75.71 48.86 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -99.08 128.28 45.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -131.77 162.66 29.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.479 ' CA ' ' O ' ' A' ' 22' ' ' VAL . . . 164.41 -122.78 1.11 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.509 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 27.3 pt -145.93 165.35 9.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 0.0 111.157 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.425 ' CE1' ' O ' ' A' ' 43' ' ' TYR . 8.7 p90 -170.72 155.97 4.92 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.68 0.752 . . . . 0.0 110.829 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.566 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.8 Cg_endo -69.75 161.08 47.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.646 2.231 . . . . 0.0 112.335 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.454 ' O ' ' C ' ' A' ' 59' ' ' THR . 1.5 mm -79.38 -63.56 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 58' ' ' ILE . 60.9 p -33.97 -36.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.566 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 8.3 m-85 -61.78 -53.56 54.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.411 ' N ' ' O ' ' A' ' 58' ' ' ILE . 34.6 m -101.56 143.34 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.136 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.26 105.64 14.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.9 p -62.28 139.85 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.1 mt -96.99 -70.81 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.174 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.3 t -81.9 148.03 28.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 142.09 -169.8 25.2 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -7.41 20.98 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.656 2.237 . . . . 0.0 112.357 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.4 t -40.2 137.26 1.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 41.4 t -138.19 153.24 49.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.461 -179.965 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.2 m -159.81 159.3 32.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 110.84 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.4 t -96.75 166.01 11.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.69 -56.0 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.472 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.4 p -174.44 122.44 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 110.845 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.2 m -69.57 174.35 5.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.37 -81.64 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.448 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.02 177.44 29.85 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.46 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -136.84 144.96 43.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.358 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -150.66 169.19 22.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.431 HG13 ' CD1' ' A' ' 64' ' ' ILE . 2.8 mt -138.78 138.94 41.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.46 101.47 4.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.542 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -68.8 -11.07 60.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.542 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 98.3 m-85 -162.89 156.72 20.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -68.83 136.52 52.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -116.03 137.47 52.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -115.27 91.88 3.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -42.46 111.93 0.4 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -60.85 -41.56 96.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.898 0.38 . . . . 0.0 110.898 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.404 ' OG1' ' N ' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -131.13 168.12 17.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 -179.882 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.404 ' N ' ' OG1' ' A' ' 20' ' ' THR . 16.8 tt0 -56.33 -16.76 6.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.426 ' O ' ' CG1' ' A' ' 22' ' ' VAL . 6.6 p -88.4 41.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -153.76 154.59 34.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.2 tmm? -114.32 127.1 55.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 59.7 p -92.1 147.47 22.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -146.64 151.54 37.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.3 mtp85 -95.56 149.76 21.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -58.63 133.16 55.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.55 -28.24 16.39 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.498 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -65.14 154.14 38.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.852 0.358 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.3 ttm-85 -108.88 120.73 43.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 36.6 mt -89.92 123.41 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 55.9 m -78.2 81.14 4.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.143 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.9 mt -39.46 136.53 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.924 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.6 mt -122.12 -36.36 2.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.401 ' NH1' ' HB2' ' A' ' 36' ' ' ARG . 3.5 ptm85 -171.43 177.17 3.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -118.3 115.25 24.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 43.9 t -74.43 -70.74 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -111.43 -178.31 3.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -71.32 -18.31 62.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.565 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 90.0 m-20 -130.8 37.01 3.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.565 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 80.2 m95 -157.97 115.53 2.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.554 ' CD2' HD11 ' A' ' 58' ' ' ILE . 15.7 m-85 -103.45 138.54 40.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -93.14 143.16 26.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -170.74 164.33 37.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.473 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -122.43 168.46 12.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 0.0 110.86 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.466 ' CG2' ' HD2' ' A' ' 48' ' ' PRO . 39.0 mm -108.81 138.52 20.34 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.643 0.735 . . . . 0.0 111.104 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.466 ' HD2' ' CG2' ' A' ' 47' ' ' ILE . 53.3 Cg_endo -69.75 127.57 14.79 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.685 2.257 . . . . 0.0 112.327 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.38 -50.87 1.27 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.502 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 48.7 p -86.64 -26.03 24.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.777 0.322 . . . . 0.0 111.156 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 t 58.4 37.38 25.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 mtp-105 -102.29 109.64 21.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -117.82 161.5 19.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -176.75 -107.89 0.22 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.465 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.8 pt -155.0 161.22 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.358 . . . . 0.0 111.135 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.43 ' CE1' ' O ' ' A' ' 43' ' ' TYR . 6.0 p90 -173.64 155.53 2.58 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.651 0.738 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.56 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 54.5 Cg_endo -69.75 167.03 25.6 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.655 2.237 . . . . 0.0 112.375 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.554 HD11 ' CD2' ' A' ' 43' ' ' TYR . 2.1 mm -80.45 -61.65 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 58' ' ' ILE . 77.2 p -33.85 -45.33 0.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.56 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 17.2 m-85 -57.76 -54.5 46.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.949 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.6 m -94.82 126.21 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.128 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -94.38 109.67 21.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 42.0 t -73.85 113.26 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.431 ' CD1' HG13 ' A' ' 11' ' ' ILE . 5.3 mp -66.54 -54.26 27.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.097 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.6 t -42.92 -48.08 5.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 54.59 168.1 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.532 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 136.95 34.27 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 m -156.84 148.58 22.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.5 p -169.57 127.29 0.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.496 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.8 p -148.57 133.96 18.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.342 . . . . 0.0 110.903 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.2 m -155.62 149.52 25.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.23 65.57 0.54 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.45 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.3 p -48.93 117.67 2.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -111.94 113.12 25.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.15 -95.31 0.34 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.481 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 166.72 177.97 38.93 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -127.03 130.72 50.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.855 0.359 . . . . 0.0 110.897 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -118.82 167.38 11.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 40.5 mm -134.91 120.47 30.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.22 105.78 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.407 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 22.7 mmmt -74.81 -21.57 59.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' A' ' 13' ' ' LYS . 69.0 m-85 -150.65 152.51 34.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -68.74 113.46 6.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . 79.4 t80 -83.68 136.49 34.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -109.27 76.41 1.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -44.56 151.4 0.7 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.497 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -113.32 -57.82 2.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.871 0.367 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.6 p -80.2 158.57 26.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -53.58 -46.6 70.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.3 p -56.17 -44.45 79.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -54.19 146.44 15.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.4 tmm? -122.98 124.82 44.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 76.2 p -86.94 134.82 33.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.814 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.524 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 6.7 p90 -131.09 152.78 50.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.841 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -97.83 157.75 15.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -54.75 138.57 41.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.07 -38.96 3.14 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -47.12 138.43 6.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.896 0.379 . . . . 0.0 110.893 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -93.36 135.94 34.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 42.4 mt -112.58 103.82 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.168 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.3 m -63.86 87.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.9 mt -44.43 129.98 6.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.966 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 47.9 mt -115.54 -42.73 3.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -168.08 161.15 12.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.553 ' HG3' ' CD1' ' A' ' 43' ' ' TYR . 60.1 tt0 -102.17 111.1 23.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.1 t -70.15 -63.36 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -119.22 176.96 5.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -69.13 -22.08 63.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.57 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 20.7 m120 -126.13 31.79 5.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.57 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 67.7 m95 -155.62 117.11 3.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.958 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.553 ' CD1' ' HG3' ' A' ' 37' ' ' GLN . 23.8 m-85 -103.46 146.85 27.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -102.53 146.12 28.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.44 169.09 40.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.469 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -125.96 166.31 17.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.744 0.307 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.477 ' CG2' ' HD2' ' A' ' 48' ' ' PRO . 21.0 mm -97.42 138.72 21.16 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.617 0.722 . . . . 0.0 111.137 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 47' ' ' ILE . 53.4 Cg_endo -69.85 146.11 58.66 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.66 2.24 . . . . 0.0 112.337 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.7 -44.2 2.25 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.473 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.447 ' HB ' ' CD ' ' A' ' 52' ' ' ARG . 7.8 p -88.86 -174.95 4.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.757 0.313 . . . . 0.0 111.126 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 73.5 m -131.35 39.29 3.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.447 ' CD ' ' HB ' ' A' ' 50' ' ' THR . 0.5 OUTLIER -109.33 115.18 29.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.84 -179.902 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -121.9 151.32 40.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 174.97 173.24 40.62 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.48 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.8 pt -84.23 168.48 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.887 0.375 . . . . 0.0 111.14 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -171.23 155.44 4.29 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.671 0.748 . . . . 0.0 110.857 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.555 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.3 Cg_endo -69.82 166.98 25.86 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.689 2.259 . . . . 0.0 112.329 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.528 HD12 ' CD2' ' A' ' 43' ' ' TYR . 2.1 mm -80.5 -60.83 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 58' ' ' ILE . 29.2 p -34.3 -47.57 0.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.141 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.555 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 18.1 m-85 -55.31 -49.11 73.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 58' ' ' ILE . 14.2 m -102.41 121.34 53.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.161 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -89.99 109.13 20.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 91.0 t -69.55 145.61 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.051 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.1 mt -98.91 -56.59 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.066 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.2 t -68.81 95.92 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -170.9 -178.15 41.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.481 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -22.48 31.93 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.687 2.258 . . . . 0.0 112.353 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.7 t -38.81 -62.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.7 t -59.11 -59.47 5.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.829 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.523 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -78.53 93.4 4.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 0.0 110.836 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.2 p -101.57 122.33 43.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.78 162.64 3.6 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.525 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.7 p -86.82 121.77 29.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.893 0.378 . . . . 0.0 110.842 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.7 m -120.46 101.24 7.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.846 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.13 -52.92 0.98 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 149.84 -145.76 14.23 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.44 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -147.14 150.68 35.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.845 0.355 . . . . 0.0 110.891 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -150.88 161.31 42.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.9 mm -123.02 130.22 74.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.084 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.27 93.37 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.1 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.3 mtmm -55.42 -24.84 32.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -147.4 175.05 11.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -86.54 143.03 27.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -116.61 151.93 35.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -116.76 65.11 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.09 86.71 0.13 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.495 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -70.63 -53.46 15.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.901 0.381 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.8 p -67.14 142.45 57.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.195 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.421 ' HG3' ' N ' ' A' ' 22' ' ' VAL . 21.5 pt20 -52.04 -44.83 64.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.421 ' N ' ' HG3' ' A' ' 21' ' ' GLN . 12.8 m -54.28 -28.12 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -90.67 140.49 29.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 47.4 ttp -108.11 116.6 32.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 84.3 p -83.76 130.69 34.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -131.09 151.51 51.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -88.64 134.14 33.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.5 ttpp -50.89 121.05 5.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.57 -40.18 2.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.478 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -66.52 136.82 56.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.859 0.361 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -71.09 170.93 11.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.2 mt -139.29 109.02 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.1 m -64.02 93.33 0.09 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.6 mt -54.18 134.2 44.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 58.0 mt -117.53 -42.12 2.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -171.57 157.35 4.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.423 ' CD ' ' CE1' ' A' ' 43' ' ' TYR . 57.2 tt0 -99.79 114.55 27.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.2 t -72.49 -67.95 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -110.84 -175.77 2.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.0 mp0 -76.74 -14.61 59.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.519 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 44.8 m-80 -134.13 33.32 3.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.519 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 71.5 m95 -155.24 115.35 3.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.557 ' CD2' HD12 ' A' ' 58' ' ' ILE . 15.1 m-85 -100.18 155.79 17.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -117.23 141.59 48.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -173.28 178.19 45.35 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -123.96 168.46 12.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.319 . . . . 0.0 110.874 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.459 ' CG2' ' HD2' ' A' ' 48' ' ' PRO . 17.7 mm -114.14 138.31 22.86 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.638 0.732 . . . . 0.0 111.141 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.459 ' HD2' ' CG2' ' A' ' 47' ' ' ILE . 54.2 Cg_endo -69.72 -44.57 2.03 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.664 2.243 . . . . 0.0 112.371 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.73 -24.44 75.47 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.521 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.2 p -144.86 134.2 23.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.805 0.336 . . . . 0.0 111.143 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 t -75.95 48.75 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.5 mtt180 -95.27 125.94 40.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -118.37 152.61 35.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 164.93 -153.51 23.75 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.504 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 38.4 pt -123.15 169.92 13.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.895 0.379 . . . . 0.0 111.115 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -171.9 155.27 3.73 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.609 0.719 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.499 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.5 Cg_endo -69.78 168.62 21.05 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.352 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.557 HD12 ' CD2' ' A' ' 43' ' ' TYR . 1.8 mm -82.97 -58.71 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.074 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 58' ' ' ILE . 63.4 p -35.07 -38.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.499 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 11.8 m-85 -66.12 -49.43 67.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 58' ' ' ILE . 7.3 m -100.05 128.48 51.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.437 ' OD1' ' C ' ' A' ' 62' ' ' ASP . 8.4 t0 -97.75 114.85 26.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 71.2 t -60.03 140.27 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 59.0 mt -96.56 -58.8 3.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.9 t -89.12 154.27 20.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 125.48 -158.52 19.86 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -1.57 8.7 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.64 2.226 . . . . 0.0 112.38 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.7 m -80.88 140.19 35.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 80.7 p -105.1 126.91 52.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.806 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.51 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -108.12 143.16 37.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.856 0.36 . . . . 0.0 110.885 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 4' ' ' GLY . 3.4 t -155.67 146.1 21.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.827 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 36.62 42.48 0.68 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.476 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 m -125.71 102.36 7.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.859 0.361 . . . . 0.0 110.837 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.1 t -159.61 117.27 2.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.88 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.04 -87.17 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.478 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -127.09 171.09 18.72 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.444 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -135.46 135.42 40.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 0.0 110.906 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -141.16 140.3 34.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.4 mm -113.24 133.12 60.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.083 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.27 111.18 3.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -84.29 -31.04 25.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -132.85 152.16 51.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -61.08 136.1 57.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.493 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . 46.0 t80 -117.87 159.42 23.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -161.27 121.43 2.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -128.49 -24.26 1.15 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.453 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 44.44 25.37 0.12 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.895 0.379 . . . . 0.0 110.838 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 21' ' ' GLN . 5.1 p -132.93 129.67 38.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 20' ' ' THR . 68.4 mt-30 -34.71 -55.24 0.56 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.922 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.2 m -51.76 -45.18 37.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 20' ' ' THR . 37.8 mt-10 -77.3 160.12 29.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 41.8 ttp -130.57 81.87 2.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.9 m -51.3 123.04 8.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.894 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.493 ' CE1' ' HB2' ' A' ' 16' ' ' PHE . 5.7 p90 -135.92 160.5 38.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.865 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.8 ttp180 -109.08 147.23 32.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.853 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.1 ttpp -53.32 121.25 7.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.51 -51.36 0.82 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.536 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -59.31 135.91 57.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.806 0.336 . . . . 0.0 110.886 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.402 ' C ' HG13 ' A' ' 32' ' ' ILE . 11.4 ptp180 -74.19 174.99 7.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.402 HG13 ' C ' ' A' ' 31' ' ' ARG . 69.6 mt -146.75 111.67 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.8 m -68.84 82.49 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.4 mt -44.84 111.1 0.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.0 mt -91.33 -42.69 10.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -170.03 -177.17 2.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -120.44 117.31 27.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.9 t -78.21 -64.54 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -112.17 -176.84 3.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -77.83 -17.28 57.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.511 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 16.9 m-80 -130.15 31.27 4.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.511 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 70.2 m95 -154.52 117.2 4.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.969 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.57 ' CD2' HD11 ' A' ' 58' ' ' ILE . 14.3 m-85 -100.74 152.34 20.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.885 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -110.92 144.02 40.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -174.63 169.63 42.62 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -124.79 171.44 10.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.805 0.336 . . . . 0.0 110.889 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.47 ' CG2' ' HD2' ' A' ' 48' ' ' PRO . 25.5 mm -99.54 138.39 20.45 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.587 0.708 . . . . 0.0 111.133 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 47' ' ' ILE . 53.4 Cg_endo -69.77 103.67 1.2 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.684 2.256 . . . . 0.0 112.336 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 122.98 -40.26 2.05 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.492 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.5 p -117.23 141.56 48.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.813 0.339 . . . . 0.0 111.137 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.8 m -79.33 48.58 0.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -107.48 82.36 1.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -111.99 147.14 36.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -164.99 -148.54 5.51 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.459 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 30.7 pt -115.07 164.14 11.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.856 0.36 . . . . 0.0 111.117 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -175.01 155.27 1.82 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.663 0.744 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.459 ' HD3' ' CZ3' ' A' ' 42' ' ' TRP . 54.1 Cg_endo -69.7 174.47 9.4 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 2.243 . . . . 0.0 112.373 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.57 HD11 ' CD2' ' A' ' 43' ' ' TYR . 1.8 mm -86.52 -62.21 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.148 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 58' ' ' ILE . 73.3 p -34.16 -39.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -63.69 -49.25 73.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 58' ' ' ILE . 29.7 m -101.45 124.14 55.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -86.9 109.88 19.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 48.8 t -68.64 126.75 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.0 mt -83.67 -48.08 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.143 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 26.3 t -92.98 103.91 16.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -150.34 -96.88 0.16 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 103.09 1.1 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.709 2.273 . . . . 0.0 112.34 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.5 m -154.12 135.76 14.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.9 m -64.25 121.94 15.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.481 179.999 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.8 m -117.51 175.31 5.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.891 0.376 . . . . 0.0 110.837 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.8 p -63.79 117.04 6.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.99 -90.01 0.3 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.519 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 6' ' ' SER . 84.4 p 43.18 42.38 3.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.849 0.357 . . . . 0.0 110.811 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 5' ' ' SER . 1.4 t 36.05 39.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.97 -47.71 64.23 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.8 155.32 16.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -136.95 161.92 34.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.359 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -166.36 136.8 3.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.078 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.3 mm -110.6 128.78 66.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.23 99.49 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.3 mmmt -63.73 -29.71 70.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -135.67 178.33 7.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -92.22 137.61 32.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -117.25 138.02 52.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -128.87 82.07 2.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.01 131.81 23.35 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.506 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -73.97 -52.42 12.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.864 0.364 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.6 p -77.29 151.67 34.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -58.04 -43.23 86.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -49.84 -30.71 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -79.88 127.03 31.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.441 ' HE1' ' CD1' ' A' ' 47' ' ' ILE . 5.0 tmm? -95.36 127.33 41.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.8 m -98.17 137.96 36.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -130.19 168.08 17.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 ttp85 -105.86 144.96 31.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -58.62 95.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.5 41.05 0.64 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -128.54 148.82 50.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.808 0.337 . . . . 0.0 110.914 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -79.53 140.29 37.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.5 mt -125.93 100.35 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 19.4 m -67.44 91.64 0.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.2 mt -51.87 116.56 2.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 55.5 mt -99.2 -37.89 9.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -171.49 167.96 6.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -110.65 109.58 19.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 91.3 t -68.53 -64.45 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.074 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -115.1 167.82 10.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.849 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -62.77 -23.83 67.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.598 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 16.8 m120 -121.98 30.85 6.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.598 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 54.7 m95 -154.11 117.71 4.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.563 ' CD2' HD11 ' A' ' 58' ' ' ILE . 23.5 m-85 -99.26 149.45 23.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -106.52 151.57 24.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.46 168.75 32.71 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.478 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -123.26 -179.97 4.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.772 0.32 . . . . 0.0 110.852 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.441 ' CD1' ' HE1' ' A' ' 24' ' ' MET . 17.9 mm -107.95 137.43 19.8 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.65 0.738 . . . . 0.0 111.125 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.437 ' HD2' ' CG2' ' A' ' 47' ' ' ILE . 54.1 Cg_endo -69.72 109.19 2.24 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.708 2.272 . . . . 0.0 112.343 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 122.47 -43.27 1.49 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.524 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.7 p -113.23 176.47 5.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 111.138 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.7 t -107.56 48.69 0.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 -99.7 87.17 3.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -113.13 161.91 16.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 163.37 -138.74 5.48 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.507 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 21.5 pt -127.18 167.58 21.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.834 0.35 . . . . 0.0 111.152 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -175.01 155.12 1.8 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.626 0.727 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.512 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.9 Cg_endo -69.71 176.38 6.81 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.694 2.262 . . . . 0.0 112.309 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.563 HD11 ' CD2' ' A' ' 43' ' ' TYR . 4.5 mm -89.3 -60.4 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 58' ' ' ILE . 24.2 p -34.0 -47.81 0.28 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.512 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 21.1 m-85 -54.44 -54.33 42.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.3 m -99.99 122.21 51.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.168 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.61 106.16 16.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.0 t -66.85 113.64 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.08 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.3 mp -69.09 -58.99 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.4 m -96.24 128.24 42.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.838 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.53 146.78 48.35 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.49 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 102.41 1.02 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.679 2.253 . . . . 0.0 112.31 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.9 m -77.7 116.18 18.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 62.9 p -124.79 154.47 40.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.4 p -166.08 140.44 4.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.886 0.374 . . . . 0.0 110.852 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.8 p -132.94 144.25 50.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.849 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.62 90.12 1.33 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.2 p -173.48 153.83 2.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.875 0.369 . . . . 0.0 110.867 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.42 ' HA ' ' CG2' ' A' ' 33' ' ' THR . 60.3 p -57.46 128.24 36.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.6 -56.46 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.55 -160.28 22.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -162.96 142.18 8.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.879 0.371 . . . . 0.0 110.915 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -151.29 145.83 25.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.103 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.1 mm -116.61 131.26 69.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.548 ' HB1' ' CD1' ' A' ' 26' ' ' PHE . . . -68.67 90.4 0.4 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -58.11 -34.41 70.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -131.7 165.63 23.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -83.88 124.78 31.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.536 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . 57.4 t80 -103.2 129.52 50.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -114.22 96.67 5.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.46 129.65 9.19 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -83.51 -47.28 11.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.889 0.376 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.7 p -87.48 170.11 11.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.165 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.443 ' HG3' ' N ' ' A' ' 22' ' ' VAL . 27.4 pt20 -67.37 -46.9 71.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.443 ' N ' ' HG3' ' A' ' 21' ' ' GLN . 7.3 p -50.26 -34.88 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -79.39 130.87 35.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.1 tmm? -104.82 133.07 50.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 90.5 p -100.52 132.8 45.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.804 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.548 ' CD1' ' HB1' ' A' ' 12' ' ' ALA . 3.0 p90 -128.23 147.86 50.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -84.48 144.31 28.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -56.13 98.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.15 36.67 1.19 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.478 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -114.04 153.09 30.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.813 0.34 . . . . 0.0 110.925 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.462 ' CZ ' ' HB2' ' A' ' 31' ' ' ARG . 15.1 ttm105 -91.48 115.71 28.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.6 mt -109.58 110.01 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.42 ' CG2' ' HA ' ' A' ' 6' ' ' SER . 59.2 m -64.66 105.03 0.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.0 mt -61.95 101.29 0.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.944 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.2 mt -86.09 -61.21 1.8 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.01 -175.03 4.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.634 ' CD ' ' CE1' ' A' ' 43' ' ' TYR . 62.1 tt0 -129.28 97.7 4.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 96.0 t -55.86 -61.78 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.6 157.29 26.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -48.8 -24.96 1.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.541 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 4.9 m120 -123.64 35.31 4.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.541 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 63.2 m95 -154.18 117.95 4.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.634 ' CE1' ' CD ' ' A' ' 37' ' ' GLN . 30.2 m-85 -107.27 128.79 54.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -89.76 128.9 36.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -157.99 171.18 34.96 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -125.83 179.22 5.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.777 0.323 . . . . 0.0 110.838 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.47 ' CG2' ' HD2' ' A' ' 48' ' ' PRO . 7.2 mm -119.04 137.06 24.7 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.642 0.734 . . . . 0.0 111.099 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 47' ' ' ILE . 53.9 Cg_endo -69.78 135.98 31.78 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.654 2.236 . . . . 0.0 112.383 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.94 -46.47 2.9 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.474 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 76.9 p -100.97 168.17 9.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.756 0.312 . . . . 0.0 111.154 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.9 m -103.5 37.23 2.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 35.8 mtt85 -94.04 108.33 20.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.5 tm0? -139.18 143.76 38.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 176.65 -152.71 12.79 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.505 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 32.8 pt -108.59 167.89 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 111.119 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.579 ' CE1' ' O ' ' A' ' 43' ' ' TYR . 5.6 p90 -174.94 156.13 1.98 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.609 0.718 . . . . 0.0 110.928 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.56 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.9 Cg_endo -69.77 155.93 64.65 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.622 2.215 . . . . 0.0 112.358 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.467 ' CD1' ' C ' ' A' ' 41' ' ' ASN . 2.6 mm -69.26 -62.06 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 58' ' ' ILE . 25.0 p -34.06 -53.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.56 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 9.6 m-85 -47.03 -56.2 6.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 34.4 m -98.46 120.72 48.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.125 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.1 105.9 18.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.0 p -72.87 119.65 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.2 mp -79.2 -44.06 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.169 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.2 t -88.79 103.97 16.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -166.64 -158.59 11.33 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 155.86 64.71 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.68 2.253 . . . . 0.0 112.327 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.7 t -66.41 -55.14 17.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.826 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.6 t 71.14 35.53 1.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.528 179.978 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -112.33 146.63 37.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.833 0.349 . . . . 0.0 110.874 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -157.52 145.5 18.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.75 176.09 38.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.6 p -90.78 171.8 9.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.884 0.373 . . . . 0.0 110.907 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 t -155.35 162.23 40.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.69 85.13 0.16 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.505 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -136.26 -170.54 12.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.51 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -136.49 159.74 40.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.887 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -163.54 145.65 9.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.3 mm -113.63 137.37 47.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.05 105.45 5.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -78.5 -22.98 46.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -141.99 147.05 36.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -66.02 135.94 55.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.479 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . 18.3 t80 -120.19 161.32 21.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -160.71 108.79 1.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.465 ' HA3' ' CB ' ' A' ' 23' ' ' GLU . . . -104.09 -33.87 3.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.493 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 54.93 28.22 10.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.929 0.395 . . . . 0.0 110.863 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 23' ' ' GLU . 1.1 p -137.18 133.91 35.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.2 pt20 -40.07 -40.25 1.03 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 55' ' ' ILE . 14.7 p -71.18 -36.31 61.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.156 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 20' ' ' THR . 42.7 mt-10 -91.57 153.26 19.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 11.5 tmm? -126.96 124.74 40.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.2 m -87.32 126.77 35.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.479 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 29.3 p90 -129.15 154.6 46.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.3 ttt-85 -95.43 143.8 26.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -58.84 130.0 44.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 105.59 -41.29 2.2 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.439 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.44 138.98 58.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.816 0.341 . . . . 0.0 110.922 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -74.87 167.33 22.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 17.2 mt -137.76 108.17 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.3 m -64.46 94.64 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 42.2 mt -55.37 131.78 46.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.1 mt -113.36 -43.68 3.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -168.74 154.98 6.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -93.31 106.06 18.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.46 -59.43 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.143 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -128.13 -177.2 4.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -73.94 -13.32 60.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.496 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 30.9 m-80 -134.35 33.01 3.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.506 ' CZ3' ' HD3' ' A' ' 57' ' ' PRO . 88.5 m95 -158.52 115.03 2.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.557 ' CD2' HD12 ' A' ' 58' ' ' ILE . 14.5 m-85 -100.46 142.62 31.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -103.91 145.76 29.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.67 171.89 44.15 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.512 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.7 ptt85 -114.72 178.4 4.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.872 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.468 ' CG2' ' HD2' ' A' ' 48' ' ' PRO . 39.1 mm -124.34 138.76 31.51 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.594 0.711 . . . . 0.0 111.161 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.468 ' HD2' ' CG2' ' A' ' 47' ' ' ILE . 54.2 Cg_endo -69.73 -44.85 1.86 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.657 2.238 . . . . 0.0 112.377 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.62 -25.69 73.89 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 47' ' ' ILE . 52.4 p -141.82 133.03 26.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.767 0.318 . . . . 0.0 111.166 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.3 m -75.57 49.06 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.888 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.0 mtt85 -90.2 166.32 13.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.846 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -153.94 142.58 20.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.952 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 169.06 -162.43 36.16 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.509 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.419 ' N ' ' O ' ' A' ' 22' ' ' VAL . 43.7 pt -116.03 165.46 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 111.148 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -164.54 155.07 12.83 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.623 0.725 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.557 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 54.2 Cg_endo -69.68 165.25 31.49 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.727 2.285 . . . . 0.0 112.332 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.557 HD12 ' CD2' ' A' ' 43' ' ' TYR . 1.8 mm -80.49 -63.15 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 58' ' ' ILE . 24.9 p -33.95 -42.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.136 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.557 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 9.9 m-85 -57.11 -48.74 77.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 58' ' ' ILE . 11.7 m -99.84 143.38 13.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.159 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 62' ' ' ASP . 0.1 OUTLIER -104.57 112.42 25.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 88.7 t -74.04 129.24 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.8 mt -95.17 -51.07 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.7 m -103.95 88.19 2.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.818 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -154.47 -157.95 8.43 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.497 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 129.7 18.03 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.684 2.256 . . . . 0.0 112.344 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.6 p -167.19 139.03 3.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 54.8 p -135.62 113.07 10.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.49 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.5 m 38.12 42.32 0.47 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.874 0.369 . . . . 0.0 110.849 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.6 m -65.09 112.02 3.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.63 171.71 54.89 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.457 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -171.36 147.13 2.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.936 0.398 . . . . 0.0 110.859 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -110.17 152.49 25.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.29 -53.56 0.12 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -178.81 -155.69 15.28 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -150.45 143.2 24.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.884 0.374 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -138.56 174.44 10.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.5 mm -143.86 124.08 8.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.6 141.43 48.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.457 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 8.7 mtpt -119.46 -5.87 10.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.457 ' CD1' ' O ' ' A' ' 13' ' ' LYS . 61.3 m-85 -154.38 146.32 23.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -55.61 140.1 42.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.739 ' CD2' ' CE2' ' A' ' 26' ' ' PHE . 41.0 t80 -144.1 122.38 12.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 18' ' ' GLY . 52.1 t30 -110.9 42.06 1.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.849 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 17' ' ' ASN . . . 34.4 89.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.44 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -41.93 -49.67 4.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.896 0.379 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.9 p -123.02 161.43 24.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -45.89 -53.35 9.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.946 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.7 t -51.84 -36.14 18.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -74.17 135.28 42.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.459 ' HB2' ' N ' ' A' ' 54' ' ' GLY . 10.0 tmm? -90.4 127.3 36.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 87.1 p -84.52 141.74 30.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.739 ' CE2' ' CD2' ' A' ' 16' ' ' PHE . 18.8 p90 -143.2 166.18 25.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -120.17 135.82 54.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.41 ' HD3' ' C ' ' A' ' 13' ' ' LYS . 14.8 tptm -45.3 135.68 5.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.88 -21.97 38.66 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.457 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -83.66 132.67 34.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.4 ptt-85 -76.07 166.35 23.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 34' ' ' LEU . 15.7 mt -135.69 109.05 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 40.7 m -61.21 76.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 32' ' ' ILE . 97.4 mt -46.14 113.65 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.6 mt -95.02 -41.45 9.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -168.79 158.57 9.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -95.76 102.0 13.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 73.3 t -57.6 -62.23 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.176 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -120.96 176.96 5.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -67.42 -20.62 65.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.436 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 30.9 m-80 -129.11 31.95 4.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.467 ' N ' HD11 ' A' ' 58' ' ' ILE . 74.7 m95 -153.58 115.65 4.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.562 ' CD2' HD12 ' A' ' 58' ' ' ILE . 17.3 m-85 -100.65 137.83 38.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -98.22 151.27 20.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 176.03 176.73 44.48 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.449 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.0 ptt180 -131.88 165.63 23.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.33 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.448 ' CG2' ' HD2' ' A' ' 48' ' ' PRO . 40.6 mm -107.94 137.21 19.74 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.568 0.699 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.448 ' HD2' ' CG2' ' A' ' 47' ' ' ILE . 53.3 Cg_endo -69.75 136.54 33.28 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.651 2.234 . . . . 0.0 112.317 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.87 -35.03 3.73 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.461 ' HB ' ' CZ ' ' A' ' 52' ' ' ARG . 60.9 p -106.83 -175.83 2.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.756 0.312 . . . . 0.0 111.141 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.2 m -118.5 9.49 12.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.461 ' CZ ' ' HB ' ' A' ' 50' ' ' THR . 0.0 OUTLIER -66.76 106.59 1.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.838 -179.896 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -138.19 157.32 46.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.459 ' N ' ' HB2' ' A' ' 24' ' ' MET . . . 156.09 -132.46 3.35 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.49 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 28.9 pt -123.53 169.8 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 0.0 111.087 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.436 ' CZ ' ' O ' ' A' ' 43' ' ' TYR . 27.7 p90 -173.81 154.43 2.31 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.7 0.762 . . . . 0.0 110.858 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.562 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 54.0 Cg_endo -69.77 167.01 25.69 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.718 2.278 . . . . 0.0 112.296 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.562 HD12 ' CD2' ' A' ' 43' ' ' TYR . 2.4 mm -81.32 -63.08 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 58' ' ' ILE . 45.1 p -33.36 -52.53 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.181 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.562 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 21.6 m-85 -47.65 -49.77 26.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.419 HG11 ' CD1' ' A' ' 32' ' ' ILE . 16.8 m -95.47 164.75 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.135 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -125.48 110.3 13.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.9 t -69.34 132.49 33.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.5 mt -83.71 -51.72 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.5 t -93.38 125.27 37.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 142.35 174.09 14.68 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.449 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -3.59 12.33 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.654 2.236 . . . . 0.0 112.345 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 71.2 p -39.14 122.53 1.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.1 t -111.57 111.31 22.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.962 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -102.85 85.82 2.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.857 0.36 . . . . 0.0 110.873 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -91.81 131.87 36.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.63 61.09 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 m -133.97 158.0 44.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.845 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m 56.38 41.39 29.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.829 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.98 -79.07 0.76 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -168.54 179.22 41.64 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.462 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -136.63 151.54 49.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -156.93 164.22 38.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.052 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.0 mt -132.9 137.05 54.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.08 94.67 0.9 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -54.21 -25.0 20.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -144.75 177.68 8.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -91.83 122.23 34.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . 82.4 t80 -101.65 112.43 25.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -93.52 83.97 4.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.75 151.27 47.26 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.13 -31.44 6.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.886 0.374 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.2 p -99.46 162.09 13.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.4 ' HG2' ' N ' ' A' ' 22' ' ' VAL . 3.2 pm0 -74.5 -29.51 61.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.4 ' N ' ' HG2' ' A' ' 21' ' ' GLN . 7.6 p -63.01 -31.19 51.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -84.45 148.35 26.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.4 ttp -106.39 119.63 39.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 89.7 p -82.58 140.75 33.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.549 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 14.3 p90 -141.41 154.12 45.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -103.23 141.63 35.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.842 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.3 tttp -48.56 136.87 12.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.96 -36.39 3.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -58.83 146.2 38.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 -100.54 126.28 46.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.409 ' CD1' HG13 ' A' ' 61' ' ' VAL . 15.7 mt -96.13 118.12 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 34' ' ' LEU . 89.3 m -73.32 82.0 1.38 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 33' ' ' THR . 12.9 mt -35.18 144.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.9 mt -132.41 -46.46 0.9 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -165.48 158.74 16.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -97.52 110.08 22.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.419 ' CG2' ' HB2' ' A' ' 44' ' ' GLU . 58.7 t -72.23 -56.08 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.106 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -127.28 165.48 19.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -57.56 -28.6 63.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.443 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 83.0 m-20 -121.88 31.0 6.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.468 ' N ' HD12 ' A' ' 58' ' ' ILE . 60.5 m95 -151.05 115.89 5.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.57 ' CD2' HD13 ' A' ' 58' ' ' ILE . 9.7 m-85 -99.25 143.41 29.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.419 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 4.6 tt0 -103.66 143.69 32.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.948 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -173.24 170.65 43.8 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -118.85 -176.73 3.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.837 0.351 . . . . 0.0 110.84 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 25.6 mm -129.14 136.76 29.66 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.633 0.73 . . . . 0.0 111.132 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 138.0 36.82 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.661 2.241 . . . . 0.0 112.302 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.36 -38.11 3.01 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.457 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.1 p -99.16 -29.1 13.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.834 0.35 . . . . 0.0 111.162 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 t 64.21 33.71 11.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -57.62 174.37 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -170.98 130.22 0.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.08 -145.82 8.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.506 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 13.4 pt -131.22 168.06 24.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.879 0.371 . . . . 0.0 111.135 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -174.81 154.32 1.8 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.616 0.722 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.476 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 54.1 Cg_endo -69.71 173.75 10.46 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.57 HD13 ' CD2' ' A' ' 43' ' ' TYR . 2.6 mm -83.83 -61.07 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 58' ' ' ILE . 63.4 p -34.06 -54.43 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.476 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 16.6 m-85 -48.33 -52.54 21.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.871 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.409 HG13 ' CD1' ' A' ' 32' ' ' ILE . 34.2 m -88.14 164.72 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.69 106.12 7.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 62.6 t -61.31 127.51 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.188 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.433 ' O ' ' C ' ' A' ' 65' ' ' SER . 47.0 mm -59.28 -65.48 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.175 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 64' ' ' ILE . 1.9 t -35.59 -57.32 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.11 169.6 27.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 109.07 2.23 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.68 2.254 . . . . 0.0 112.34 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 m -154.41 144.96 22.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.82 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 95.5 p -99.15 119.5 37.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.508 -179.97 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m 45.26 38.69 3.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.37 . . . . 0.0 110.872 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 t -106.36 95.42 5.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.69 -118.15 3.06 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.53 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.4 p -130.75 157.78 41.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.913 0.387 . . . . 0.0 110.827 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -151.3 137.25 18.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.828 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.31 -62.8 0.36 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.486 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 151.46 128.53 1.46 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -77.33 149.4 35.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.886 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -143.61 153.79 42.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.071 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.2 mm -117.77 135.63 57.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.47 88.12 6.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -57.09 -25.09 58.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -147.77 163.99 34.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -83.95 146.9 27.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -119.81 135.52 54.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -112.17 95.01 5.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.46 144.85 19.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.89 -47.02 4.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.924 0.392 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 47.9 p -83.4 173.83 11.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.08 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -76.47 -44.59 34.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.8 p -54.2 -18.65 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -97.24 121.88 39.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.5 tmm? -97.25 127.61 43.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 85.2 p -94.61 155.06 17.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.7 p90 -153.78 158.94 41.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.401 ' C ' ' OE1' ' A' ' 30' ' ' GLU . 12.6 tpt180 -102.44 151.89 21.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -56.49 131.18 47.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.79 -40.01 2.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.401 ' OE1' ' C ' ' A' ' 27' ' ' ARG . 1.6 mp0 -43.76 167.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.875 0.369 . . . . 0.0 110.852 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.422 ' C ' HG13 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -101.3 161.65 13.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.856 -179.892 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.422 HG13 ' C ' ' A' ' 31' ' ' ARG . 79.7 mt -154.98 113.05 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.7 m -83.39 95.35 8.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.4 mt -53.26 134.0 39.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.3 mt -113.17 -43.38 3.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.953 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.414 ' NH1' ' HB3' ' A' ' 36' ' ' ARG . 3.4 ptp180 -161.39 179.96 7.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -120.35 106.57 11.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.5 t -67.22 -58.26 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -125.25 161.97 25.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -56.81 -24.56 51.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.489 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 21.2 m-80 -121.4 30.77 6.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.489 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 76.0 m95 -155.19 116.05 3.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.553 ' CD2' HD13 ' A' ' 58' ' ' ILE . 17.2 m-85 -98.88 146.54 25.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -105.54 148.65 27.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -179.45 169.27 40.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.515 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -114.51 -177.44 3.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.458 ' CG2' ' HD2' ' A' ' 48' ' ' PRO . 20.2 mm -121.35 138.68 28.47 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.668 0.747 . . . . 0.0 111.13 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.458 ' HD2' ' CG2' ' A' ' 47' ' ' ILE . 53.7 Cg_endo -69.78 137.53 35.63 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.683 2.255 . . . . 0.0 112.359 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.05 -28.62 3.62 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.8 p -115.72 160.51 19.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.826 0.346 . . . . 0.0 111.11 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.0 t -96.97 48.7 1.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -79.6 157.0 27.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -173.91 126.4 0.37 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 177.68 -146.84 7.82 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.517 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 37.2 pt -127.08 168.4 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.328 . . . . 0.0 111.185 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.426 ' CE1' HG23 ' A' ' 61' ' ' VAL . 16.7 p90 -169.43 155.54 6.12 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.662 0.744 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.48 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 54.2 Cg_endo -69.69 167.75 23.43 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.24 . . . . 0.0 112.376 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.553 HD13 ' CD2' ' A' ' 43' ' ' TYR . 5.7 mm -85.8 -58.83 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.083 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.0 p -38.29 -31.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.48 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 9.7 m-85 -71.02 -48.88 50.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.426 HG23 ' CE1' ' A' ' 56' ' ' PHE . 34.0 m -112.09 126.8 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.129 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.28 105.33 17.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.6 p -68.81 127.16 30.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.2 mp -80.16 -54.69 10.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -90.86 41.73 1.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -117.68 164.81 12.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 117.78 5.29 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.689 2.259 . . . . 0.0 112.368 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 56.6 p -164.97 112.58 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 98.5 p -74.23 -17.98 60.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.443 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.2 m -89.76 53.52 2.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 110.888 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.4 p -142.62 118.84 10.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.06 136.38 2.27 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.9 m -124.22 95.19 4.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.906 0.384 . . . . 0.0 110.812 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.0 m -107.89 107.43 18.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.857 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.56 78.65 0.17 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -137.09 133.65 6.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -115.97 139.48 50.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.85 0.357 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -140.46 164.36 30.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.9 mm -132.84 127.97 56.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.116 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 27' ' ' ARG . . . -64.8 100.38 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.139 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.557 ' O ' ' CD2' ' A' ' 14' ' ' PHE . 1.5 mmmm -68.04 -11.49 59.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.557 ' CD2' ' O ' ' A' ' 13' ' ' LYS . 82.9 m-85 -162.54 159.42 24.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -70.81 150.42 45.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -135.07 149.71 50.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -134.14 90.18 2.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -48.2 126.5 15.03 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -80.28 -33.96 37.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.869 0.366 . . . . 0.0 110.839 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.3 p -109.68 175.53 5.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -79.67 -14.81 58.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.907 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' A' ' 22' ' ' VAL . 3.9 p -86.05 -4.19 9.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -103.31 136.92 42.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.5 ttp -100.45 110.85 23.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.4 t -72.52 158.1 36.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -161.7 157.47 24.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.478 ' O ' ' CB ' ' A' ' 12' ' ' ALA . 31.3 mtm-85 -96.66 -178.67 4.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.4 tttt -81.89 127.27 32.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.21 -28.19 12.68 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.484 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -48.78 151.55 1.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.814 0.34 . . . . 0.0 110.921 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.409 ' C ' HG13 ' A' ' 32' ' ' ILE . 14.1 mtp180 -85.75 158.93 19.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.409 HG13 ' C ' ' A' ' 31' ' ' ARG . 86.3 mt -154.22 106.1 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 85.5 m -72.24 106.16 4.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 28.2 mt -59.18 109.49 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.6 mt -87.86 -45.41 10.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -168.54 161.63 11.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -99.64 99.65 10.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.6 t -62.13 -59.35 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.087 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -124.78 171.62 9.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -64.44 -23.65 67.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.414 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 3.6 m-80 -123.7 29.93 6.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.44 ' N ' HD12 ' A' ' 58' ' ' ILE . 69.4 m95 -151.97 119.49 6.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.594 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 8.9 m-85 -106.67 134.63 49.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.437 ' HG2' ' N ' ' A' ' 45' ' ' GLY . 32.3 tt0 -96.4 157.33 15.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.437 ' N ' ' HG2' ' A' ' 44' ' ' GLU . . . 171.27 175.46 39.73 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.476 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.29 -179.16 3.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.813 0.34 . . . . 0.0 110.867 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.475 ' CG2' ' HD2' ' A' ' 48' ' ' PRO . 26.9 mm -121.31 138.67 28.42 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.609 0.719 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 47' ' ' ILE . 53.8 Cg_endo -69.77 140.24 42.15 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.25 -34.37 2.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.524 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.9 p -109.67 169.66 8.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.772 0.32 . . . . 0.0 111.139 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 58.2 m -101.86 45.54 0.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.822 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.449 ' CG ' ' HB ' ' A' ' 47' ' ' ILE . 16.5 mmm-85 -78.79 139.94 38.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -162.83 114.86 1.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -173.73 -153.64 9.92 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.463 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 15.0 pt -117.0 169.79 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.913 0.387 . . . . 0.0 111.087 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.594 ' CE1' ' O ' ' A' ' 43' ' ' TYR . 16.2 p90 -174.13 153.78 2.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.691 0.757 . . . . 0.0 110.872 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.459 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.7 Cg_endo -69.79 166.93 25.97 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.642 2.228 . . . . 0.0 112.355 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.503 HD11 ' CD2' ' A' ' 43' ' ' TYR . 3.9 mm -84.22 -60.3 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 58' ' ' ILE . 24.4 p -34.75 -39.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.459 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 15.2 m-85 -63.43 -47.03 83.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' A' ' 58' ' ' ILE . 34.5 m -107.73 121.97 61.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.151 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -88.28 121.68 30.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 98.2 t -80.26 119.47 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 56.4 mt -76.93 -51.86 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 36.5 t -44.19 120.46 2.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 163.1 156.56 8.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -0.63 7.19 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.734 2.29 . . . . 0.0 112.308 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.1 t -82.01 138.69 34.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 43.1 t -92.58 154.04 18.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.494 179.975 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -102.43 132.65 48.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 0.0 110.84 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.1 m -52.93 157.75 1.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.814 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.95 -162.44 35.63 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.528 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 t -96.39 156.26 16.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 0.0 110.848 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -78.98 151.49 31.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.831 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.2 -82.73 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.462 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -174.66 152.34 13.95 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.473 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -117.92 159.7 22.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.929 0.395 . . . . 0.0 110.843 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.27 156.9 29.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.063 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.5 mm -129.25 130.92 67.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.28 117.35 11.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -75.53 -36.53 60.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -134.24 -176.36 4.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -94.41 128.51 41.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.533 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . 29.7 t80 -110.15 129.45 55.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -110.99 83.8 1.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.2 122.83 10.01 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.458 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -85.83 -39.48 17.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.928 0.394 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.7 p -89.11 157.75 18.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -61.68 -47.7 84.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.417 HG21 ' N ' ' A' ' 23' ' ' GLU . 34.1 m -47.32 -40.97 6.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.417 ' N ' HG21 ' A' ' 22' ' ' VAL . 74.7 mt-10 -75.91 161.94 28.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.9 tmm? -131.36 138.47 49.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.6 p -101.64 124.93 48.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.533 ' CE1' ' HB2' ' A' ' 16' ' ' PHE . 2.2 p90 -124.19 148.16 47.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -87.29 138.35 31.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -56.47 99.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 134.14 -36.41 2.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.505 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -71.91 133.14 45.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.369 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.3 ptt180 -65.59 171.98 3.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.1 mt -136.34 107.44 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.183 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.1 m -62.36 91.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.161 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 44.2 mt -53.69 104.64 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.413 HD22 ' NH1' ' A' ' 46' ' ' ARG . 18.2 mt -86.55 -43.66 12.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -169.61 166.12 10.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -103.65 104.75 14.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.84 -62.61 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.1 174.89 7.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -64.53 -18.4 64.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.589 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 25.1 m-80 -131.47 39.07 3.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.589 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 74.9 m95 -159.15 110.6 2.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.561 ' CD2' HD13 ' A' ' 58' ' ' ILE . 13.8 m-85 -95.51 141.8 28.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -101.73 141.88 33.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 177.91 162.23 27.51 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.471 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.413 ' NH1' HD22 ' A' ' 35' ' ' LEU . 7.0 ptp85 -123.22 176.67 5.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 110.855 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.41 HG22 ' N ' ' A' ' 48' ' ' PRO . 8.4 mm -107.61 135.77 19.72 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.628 0.727 . . . . 0.0 111.127 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.41 ' N ' HG22 ' A' ' 47' ' ' ILE . 54.2 Cg_endo -69.7 114.99 3.88 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.728 2.286 . . . . 0.0 112.369 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.6 -43.48 1.71 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.489 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 64.9 p -99.58 179.92 4.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.798 0.332 . . . . 0.0 111.133 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.5 m -112.09 46.74 1.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 47.3 mtt180 -97.47 95.43 7.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -127.29 146.29 50.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.939 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.42 -137.77 5.02 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 32.2 pt -126.92 169.38 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.891 0.377 . . . . 0.0 111.121 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 16.7 p90 -175.04 155.02 1.78 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.603 0.715 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.565 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.6 Cg_endo -69.79 165.38 31.2 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.664 2.242 . . . . 0.0 112.356 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.561 HD13 ' CD2' ' A' ' 43' ' ' TYR . 3.0 mm -75.38 -62.91 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 58' ' ' ILE . 36.7 p -33.44 -50.74 0.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.168 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.565 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 8.8 m-85 -49.19 -47.69 45.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 58' ' ' ILE . 22.2 m -96.75 157.07 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.132 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.89 115.27 22.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.0 t -75.11 133.43 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 48.0 mt -101.13 -61.66 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.2 t -63.0 152.12 37.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 163.3 174.84 33.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.538 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -8.27 23.17 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.678 2.252 . . . . 0.0 112.338 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 81.4 p -130.09 150.27 51.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.827 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.5 m 55.93 44.14 26.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.463 -179.973 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -130.18 150.14 51.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.903 0.382 . . . . 0.0 110.846 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -146.57 167.85 22.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.077 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.8 mm -132.86 125.53 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.98 99.5 0.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -60.77 -24.6 65.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -147.61 -179.09 6.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -91.3 140.85 29.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.441 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . 31.0 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.823 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.882 0.372 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -124.4 138.72 54.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 89.1 p -100.71 141.15 33.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.441 ' CE1' ' HB2' ' A' ' 16' ' ' PHE . 4.5 p90 -139.24 149.03 43.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.403 ' HB3' ' CG ' ' A' ' 30' ' ' GLU . 68.1 ttt180 -91.55 143.68 26.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.3 tttp -51.73 118.96 3.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.43 -32.72 7.04 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.445 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.403 ' CG ' ' HB3' ' A' ' 27' ' ' ARG . 32.9 mm-40 -51.51 145.04 9.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.79 0.328 . . . . 0.0 110.908 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -86.01 122.11 29.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.415 HG12 HD11 ' A' ' 47' ' ' ILE . 33.3 mt -102.31 103.08 14.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.9 m -65.16 90.66 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 52.9 mt -52.35 127.6 22.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.958 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.5 mt -111.15 -51.09 2.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -163.13 155.75 18.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.5 ' CD ' ' CE1' ' A' ' 43' ' ' TYR . 59.8 tt0 -95.31 115.77 27.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.671 HG21 HG22 ' A' ' 55' ' ' ILE . 94.2 t -69.65 -65.48 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -118.84 -175.41 2.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -71.83 -21.18 61.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.551 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 57.1 m-20 -129.74 37.8 3.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.721 ' N ' HD11 ' A' ' 58' ' ' ILE . 82.3 m95 -158.37 115.62 2.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.629 ' CD2' HD12 ' A' ' 58' ' ' ILE . 10.2 m-85 -102.78 147.06 27.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.938 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.407 ' HB2' HG23 ' A' ' 38' ' ' VAL . 6.9 tt0 -105.96 150.31 25.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 175.94 165.57 32.02 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.496 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.0 ptt85 -114.17 174.23 6.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.329 . . . . 0.0 110.862 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.415 HD11 HG12 ' A' ' 32' ' ' ILE . 48.9 mm . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 121.673 0.749 . . . . 0.0 111.128 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.671 HG22 HG21 ' A' ' 38' ' ' VAL . 11.1 pt -125.55 168.53 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 0.0 111.131 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -172.8 155.77 3.12 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.684 0.754 . . . . 0.0 110.859 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.587 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.4 Cg_endo -69.82 163.74 37.18 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.721 HD11 ' N ' ' A' ' 42' ' ' TRP . 2.0 mm -78.04 -63.27 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.144 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 58' ' ' ILE . 1.6 p -34.07 -37.76 0.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.587 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 7.5 m-85 -62.01 -51.39 68.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 58' ' ' ILE . 4.1 m -102.21 136.81 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.156 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -108.64 106.73 16.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.1 p -77.64 143.21 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.556 ' N ' HD12 ' A' ' 64' ' ' ILE . 4.1 mp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -146.73 131.56 18.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.886 0.374 . . . . 0.0 110.895 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -132.24 147.43 52.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.8 mm -111.44 129.39 66.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.6 91.51 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.044 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -51.61 -40.88 60.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -133.9 178.83 6.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -89.7 137.02 32.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.3 t80 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.817 0.342 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 31.4 ttp -99.27 99.76 10.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.1 p -67.61 148.75 50.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -149.81 162.68 39.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.9 mtm180 -104.8 159.21 15.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -60.68 144.54 51.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.0 -38.98 3.13 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.526 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -43.85 157.52 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -114.86 118.81 34.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.578 HG12 HD11 ' A' ' 47' ' ' ILE . 46.6 mt -100.43 114.72 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 37.1 m -69.14 86.5 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.1 mt -42.9 137.82 2.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.962 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 53.7 mt -124.53 -49.36 1.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -158.75 173.24 16.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -118.01 108.22 14.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.0 t -65.94 -69.82 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -106.75 -179.5 3.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -76.29 -12.46 60.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.526 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 12.3 m-80 -133.85 33.05 3.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.526 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 69.3 m95 -154.83 117.35 4.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.814 ' CD2' HD12 ' A' ' 58' ' ' ILE . 9.6 m-85 -99.15 145.88 26.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -105.91 157.24 17.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 172.83 175.43 40.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.45 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -127.59 173.31 9.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.788 0.328 . . . . 0.0 110.874 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.578 HD11 HG12 ' A' ' 32' ' ' ILE . 49.2 mm . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 121.58 0.705 . . . . 0.0 111.125 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 27.0 pt -134.98 163.3 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.915 0.388 . . . . 0.0 111.145 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -169.04 154.85 6.23 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.607 0.718 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.444 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.6 Cg_endo -69.78 177.0 6.03 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.634 2.222 . . . . 0.0 112.375 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.814 HD12 ' CD2' ' A' ' 43' ' ' TYR . 4.1 mm -90.57 -60.35 2.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 58' ' ' ILE . 57.7 p -34.36 -46.53 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.444 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 21.1 m-85 -57.03 -53.46 57.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.53 ' O ' HG23 ' A' ' 61' ' ' VAL . 25.9 m -103.6 120.94 54.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.088 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.83 105.41 17.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.5 p -74.84 131.66 34.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.4 ' H ' HD12 ' A' ' 64' ' ' ILE . 4.9 mp . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -124.12 154.9 39.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.829 0.347 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -143.28 162.35 35.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.578 HG12 HD11 ' A' ' 64' ' ' ILE . 49.3 mm -124.83 118.91 54.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.533 ' HA ' HG12 ' A' ' 61' ' ' VAL . . . -66.66 91.98 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -55.33 -33.7 63.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -142.65 144.81 32.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.469 ' ND2' ' HA ' ' A' ' 27' ' ' ARG . 24.0 t-20 -63.8 125.13 23.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.867 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.536 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . 89.2 t80 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.905 0.383 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 12.2 tmm? -110.86 133.77 53.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 96.4 p -93.58 135.93 34.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.601 ' CG ' HD11 ' A' ' 32' ' ' ILE . 9.1 p90 -133.48 156.54 47.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.469 ' HA ' ' ND2' ' A' ' 15' ' ' ASN . 11.9 ttt180 -95.76 148.76 22.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -54.9 111.67 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.18 -35.27 4.94 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -42.29 156.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -106.07 109.99 22.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.601 HD11 ' CG ' ' A' ' 26' ' ' PHE . 74.6 mt -93.21 110.34 23.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 48.3 m -63.88 92.74 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.087 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 44' ' ' GLU . 13.4 mt -52.48 118.49 3.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.1 mt -99.41 -41.5 7.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -169.96 174.64 5.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -114.85 102.78 10.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.7 t -63.4 -68.26 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -109.49 163.21 13.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -60.48 -21.12 62.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.565 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 2.3 m-80 -124.5 33.84 5.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.565 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 70.2 m95 -156.35 118.4 3.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.766 ' CD2' HD12 ' A' ' 58' ' ' ILE . 19.3 m-85 -102.03 140.9 35.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.422 ' O ' HD23 ' A' ' 34' ' ' LEU . 28.9 tt0 -98.69 157.44 16.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 174.7 162.3 25.99 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -121.22 171.01 9.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.787 0.327 . . . . 0.0 110.888 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.548 HD11 HG12 ' A' ' 32' ' ' ILE . 48.5 mm . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.602 0.715 . . . . 0.0 111.172 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 23.4 pt -123.81 168.74 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.874 0.369 . . . . 0.0 111.146 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.559 ' CE1' HG21 ' A' ' 61' ' ' VAL . 15.8 p90 -172.93 154.84 2.85 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.63 0.728 . . . . 0.0 110.893 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.558 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.6 Cg_endo -69.73 176.98 6.03 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.693 2.262 . . . . 0.0 112.348 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.766 HD12 ' CD2' ' A' ' 43' ' ' TYR . 4.4 mm -90.44 -60.65 2.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 58' ' ' ILE . 60.9 p -36.09 -30.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.12 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.558 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 11.6 m-85 -72.33 -48.29 43.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.933 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.559 HG21 ' CE1' ' A' ' 56' ' ' PHE . 5.8 m -111.47 136.63 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.113 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -107.07 111.59 24.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.8 p -78.47 136.71 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.137 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.578 HD11 HG12 ' A' ' 11' ' ' ILE . 5.2 mp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -134.32 129.04 34.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.876 0.369 . . . . 0.0 110.867 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -131.57 151.42 51.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.7 mm -123.75 124.34 69.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.115 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.57 101.03 0.73 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -67.8 -20.65 65.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -145.37 170.16 16.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -86.89 135.01 33.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.0 t80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.847 0.356 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 31.7 ttp -94.36 118.3 31.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.9 p -84.89 147.65 26.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -151.92 159.13 43.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -104.57 149.47 25.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -50.71 147.95 4.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.28 -40.07 3.01 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -47.05 158.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.2 ttm180 -114.6 128.72 56.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.517 HD12 HG11 ' A' ' 61' ' ' VAL . 69.6 mt -108.63 110.55 32.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 47.5 m -62.25 91.33 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.2 mt -42.39 135.99 2.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.767 HD12 ' HA2' ' A' ' 45' ' ' GLY . 11.2 mt -123.34 -55.62 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -155.46 -177.44 6.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -120.53 102.23 8.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.609 HG21 HG22 ' A' ' 55' ' ' ILE . 55.8 t -63.84 -67.28 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -112.21 168.0 9.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -62.81 -15.59 54.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.599 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 16.1 m-80 -133.35 33.42 3.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 59.2 m95 -154.87 115.69 3.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.607 ' CD2' HD12 ' A' ' 58' ' ' ILE . 28.7 m-85 -98.1 144.63 27.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.97 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.585 ' HB2' HG23 ' A' ' 38' ' ' VAL . 7.8 tm-20 -101.34 148.7 24.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.767 ' HA2' HD12 ' A' ' 35' ' ' LEU . . . -174.91 171.62 44.75 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.551 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.9 ptt85 -122.62 177.2 5.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.357 . . . . 0.0 110.849 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.8 mm . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.641 0.734 . . . . 0.0 111.155 179.947 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.609 HG22 HG21 ' A' ' 38' ' ' VAL . 24.3 pt -147.11 168.42 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.363 . . . . 0.0 111.138 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.455 ' CE1' HG21 ' A' ' 61' ' ' VAL . 17.9 p90 -173.71 154.22 2.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.683 0.754 . . . . 0.0 110.877 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.594 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.6 Cg_endo -69.79 176.69 6.45 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.689 2.259 . . . . 0.0 112.308 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.607 HD12 ' CD2' ' A' ' 43' ' ' TYR . 4.9 mm -86.05 -61.59 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.111 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 58' ' ' ILE . 35.1 p -34.77 -48.02 0.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.594 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 17.8 m-85 -54.0 -55.91 22.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.517 HG11 HD12 ' A' ' 32' ' ' ILE . 30.5 m -98.2 121.22 48.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.093 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -90.69 111.58 22.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.6 t -73.68 121.35 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.428 HD12 ' H ' ' A' ' 64' ' ' ILE . 4.9 mp . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -137.21 138.65 40.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.33 . . . . 0.0 110.931 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -146.06 168.66 20.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.2 mm -130.86 131.87 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.7 104.99 2.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.065 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.474 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 26.8 mtpp -68.48 -18.38 64.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.474 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 96.9 m-85 -159.83 172.84 16.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -80.95 136.94 36.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.535 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . 13.4 t80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.854 0.359 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.1 tmm? -94.7 135.71 35.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.6 t -95.97 154.16 17.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.535 ' CE1' ' HB2' ' A' ' 16' ' ' PHE . 2.4 p90 -148.83 153.75 38.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 -102.28 137.63 40.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.0 ttpt -41.56 123.3 2.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.59 -42.56 1.87 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -44.26 149.32 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.341 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -91.01 144.79 25.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.829 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.601 HD13 HG11 ' A' ' 61' ' ' VAL . 26.2 mt -125.86 108.66 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.3 m -75.08 90.34 2.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 72.2 mt -49.01 130.34 18.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 30.7 mt -115.21 -50.08 2.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -156.88 161.6 39.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -109.01 98.8 8.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 80.9 t -58.54 -63.83 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -114.82 173.47 6.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.816 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -69.65 -17.6 63.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.511 ' C ' HD11 ' A' ' 58' ' ' ILE . 30.0 m120 -127.45 27.63 5.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.689 ' N ' HD11 ' A' ' 58' ' ' ILE . 55.5 m95 -149.51 120.89 7.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.654 ' CD2' HD12 ' A' ' 58' ' ' ILE . 10.4 m-85 -107.4 131.68 54.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -99.42 135.51 40.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -166.69 174.75 42.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.524 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.7 ptt-85 -123.95 178.24 5.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 110.885 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.8 mm . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.61 0.719 . . . . 0.0 111.149 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 35.0 pt -110.0 165.1 5.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.888 0.375 . . . . 0.0 111.13 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.488 ' CZ ' ' O ' ' A' ' 43' ' ' TYR . 17.1 p90 -174.88 154.76 1.82 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.655 0.74 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.545 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.7 Cg_endo -69.73 161.01 47.58 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.664 2.243 . . . . 0.0 112.381 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.689 HD11 ' N ' ' A' ' 42' ' ' TRP . 1.5 mm -79.14 -62.18 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.155 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 58' ' ' ILE . 32.4 p -34.06 -35.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.545 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 8.8 m-85 -65.08 -53.93 37.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.601 HG11 HD13 ' A' ' 32' ' ' ILE . 35.2 m -94.64 150.68 3.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.169 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.82 105.5 12.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.0 p -83.53 128.79 38.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.44 HD12 ' H ' ' A' ' 64' ' ' ILE . 4.9 mp . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.166 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -125.58 -175.05 3.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.888 0.375 . . . . 0.0 110.896 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -172.0 148.87 2.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.073 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.421 HD11 ' HD2' ' A' ' 31' ' ' ARG . 20.5 mm -117.29 127.22 74.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.512 ' HB1' ' CD1' ' A' ' 26' ' ' PHE . . . -69.72 106.19 3.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -57.99 -33.28 68.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -142.0 179.94 6.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -84.6 148.85 26.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . 85.8 t80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.839 0.352 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 8.3 tmm? -109.28 140.9 42.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.2 p -100.76 141.95 32.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.512 ' CD1' ' HB1' ' A' ' 12' ' ' ALA . 13.6 p90 -133.73 158.26 43.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.404 ' HB2' ' CD ' ' A' ' 30' ' ' GLU . 2.8 mpt_? -100.21 151.86 20.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.1 ttpt -64.19 106.25 1.04 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 105.52 35.71 3.01 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.486 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.404 ' CD ' ' HB2' ' A' ' 27' ' ' ARG . 18.0 mt-10 -119.81 162.38 19.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.815 0.341 . . . . 0.0 110.914 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.421 ' HD2' HD11 ' A' ' 11' ' ' ILE . 1.9 tpt180 -93.67 147.0 23.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 85.1 mt -130.87 109.75 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.178 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 83.7 m -69.53 95.57 0.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 mt -58.56 125.95 25.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.1 mt -113.46 -35.95 5.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -173.29 173.52 3.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -117.9 105.62 12.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.477 HG23 ' HB2' ' A' ' 44' ' ' GLU . 79.4 t -65.3 -61.26 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -117.14 164.07 15.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -64.21 -13.03 46.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -130.32 20.11 5.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 60.1 m95 -144.02 118.86 9.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.806 ' CD2' HD12 ' A' ' 58' ' ' ILE . 7.1 m-85 -99.68 145.35 27.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.477 ' HB2' HG23 ' A' ' 38' ' ' VAL . 13.2 tt0 -109.71 140.19 43.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.877 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -172.36 170.37 43.41 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -122.19 163.22 19.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.831 0.348 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.4 mm . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.621 0.724 . . . . 0.0 111.122 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.6 pt -128.02 163.63 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 111.151 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -170.13 154.15 4.9 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.632 0.73 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.527 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.7 Cg_endo -69.75 173.4 11.03 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.391 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.806 HD12 ' CD2' ' A' ' 43' ' ' TYR . 2.8 mm -90.0 -61.35 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.101 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 58' ' ' ILE . 24.9 p -34.09 -38.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.527 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 12.9 m-85 -62.27 -52.87 61.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.955 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.415 ' N ' ' O ' ' A' ' 58' ' ' ILE . 18.0 m -97.52 137.1 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.163 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.18 109.36 21.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 71.6 t -73.42 138.0 22.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.096 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.445 HD12 ' H ' ' A' ' 64' ' ' ILE . 4.6 mp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -150.08 139.39 21.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 0.0 110.944 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.487 ' O ' HD13 ' A' ' 11' ' ' ILE . . . -141.07 151.21 43.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.078 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.635 HG12 HD11 ' A' ' 64' ' ' ILE . 8.1 mm -113.78 135.77 52.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.96 108.82 11.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.5 mmmt -70.69 -25.45 62.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -148.17 -176.13 5.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -96.82 135.29 39.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.51 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . 69.3 t80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.888 0.375 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.414 ' C ' ' SD ' ' A' ' 24' ' ' MET . 6.0 tmm? -105.14 127.11 52.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.7 m -86.67 141.17 29.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.51 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 17.6 p90 -137.4 152.65 49.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -103.55 136.06 43.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -42.39 132.79 3.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.57 -38.95 2.93 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -43.46 158.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.866 0.365 . . . . 0.0 110.9 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.5 ttp85 -103.95 107.15 17.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.841 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.445 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 52.0 mt -90.99 104.66 15.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.071 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.2 m -69.2 90.84 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.187 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.434 HD11 ' HB2' ' A' ' 10' ' ' ALA . 18.1 mt -47.09 126.51 9.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.7 mt -108.95 -47.17 3.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.488 ' O ' ' CB ' ' A' ' 44' ' ' GLU . 31.3 ptt180 -170.13 155.78 5.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -92.71 113.69 26.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.513 HG21 HG22 ' A' ' 55' ' ' ILE . 59.6 t -75.45 -62.37 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -113.09 164.96 12.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -56.59 -24.5 48.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.54 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 3.6 m120 -127.9 34.86 4.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.867 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.54 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 60.7 m95 -153.55 116.69 4.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.71 ' CD2' HD12 ' A' ' 58' ' ' ILE . 19.7 m-85 -100.59 153.44 19.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.488 ' CB ' ' O ' ' A' ' 36' ' ' ARG . 21.3 tt0 -107.68 150.19 27.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.74 169.0 40.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.462 ' C ' HD13 ' A' ' 47' ' ' ILE . 32.0 ptt180 -128.5 161.69 28.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.332 . . . . 0.0 110.894 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.462 HD13 ' C ' ' A' ' 46' ' ' ARG . 5.4 mm . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.584 0.707 . . . . 0.0 111.141 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.513 HG22 HG21 ' A' ' 38' ' ' VAL . 24.0 pt -130.57 169.89 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.935 0.398 . . . . 0.0 111.1 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.445 ' CZ ' HG21 ' A' ' 32' ' ' ILE . 12.5 p90 -175.03 155.11 1.79 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.691 0.758 . . . . 0.0 110.849 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.528 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.8 Cg_endo -69.74 -179.76 3.13 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.682 2.255 . . . . 0.0 112.384 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.71 HD12 ' CD2' ' A' ' 43' ' ' TYR . 4.0 mm -91.23 -59.3 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 58' ' ' ILE . 40.7 p -34.08 -43.92 0.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.528 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 15.5 m-85 -58.49 -52.09 67.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 61' ' ' VAL . 15.4 m -105.74 121.55 58.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.148 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -93.4 80.53 4.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.3 p -49.76 126.52 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.108 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.679 ' H ' HD12 ' A' ' 64' ' ' ILE . 4.8 mp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.405 ' HG3' HD12 ' A' ' 64' ' ' ILE . 7.7 pt-20 -135.23 166.95 21.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.849 0.357 . . . . 0.0 110.9 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.2 159.42 42.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.505 HG12 HD11 ' A' ' 64' ' ' ILE . 30.3 mm -110.93 124.04 67.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.43 95.39 1.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.525 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 1.4 mmmm -61.09 -22.67 64.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.525 ' CD1' ' O ' ' A' ' 13' ' ' LYS . 48.1 m-85 -152.61 178.41 9.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -96.9 134.6 40.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 80.4 t80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.959 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.85 0.357 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.9 tmm? -114.36 134.86 54.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.6 p -102.57 137.57 40.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -126.86 170.49 12.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 28' ' ' LYS . 54.8 ttt180 -116.57 136.51 52.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.845 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 27' ' ' ARG . 22.8 tttp -37.15 130.3 0.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.43 -42.13 2.49 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.441 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -40.31 144.41 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.377 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -98.29 119.64 37.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.901 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.626 HD12 HG11 ' A' ' 61' ' ' VAL . 28.7 mt -103.89 101.3 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 37.4 m -64.56 92.47 0.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.2 mt -50.89 122.53 7.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.5 mt -107.36 -48.64 3.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -155.67 159.03 39.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.481 ' HG3' ' CD1' ' A' ' 43' ' ' TYR . 66.0 tt0 -105.82 118.82 37.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.454 HG21 HG22 ' A' ' 55' ' ' ILE . 66.2 t -72.62 -63.08 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -120.46 -176.2 3.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -71.79 -21.25 61.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.485 ' C ' HD11 ' A' ' 58' ' ' ILE . 26.3 m120 -127.61 36.05 4.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.807 ' N ' HD11 ' A' ' 58' ' ' ILE . 86.9 m95 -157.06 119.79 3.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.714 ' CD2' HD12 ' A' ' 58' ' ' ILE . 14.3 m-85 -109.03 138.77 44.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.927 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -103.35 139.67 38.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.83 -177.95 37.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.444 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.3 ptt180 -130.57 164.82 24.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.803 0.335 . . . . 0.0 110.838 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.453 HD11 HG12 ' A' ' 32' ' ' ILE . 38.9 mm . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.613 0.721 . . . . 0.0 111.127 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.454 HG22 HG21 ' A' ' 38' ' ' VAL . 27.3 pt -145.93 165.35 9.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 0.0 111.157 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.468 ' CZ ' HG21 ' A' ' 32' ' ' ILE . 8.7 p90 -170.72 155.97 4.92 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.68 0.752 . . . . 0.0 110.829 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.593 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.8 Cg_endo -69.75 161.08 47.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.646 2.231 . . . . 0.0 112.335 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.807 HD11 ' N ' ' A' ' 42' ' ' TRP . 1.5 mm -79.38 -63.56 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 58' ' ' ILE . 60.9 p -33.97 -36.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.593 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 8.3 m-85 -61.78 -53.56 54.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.626 HG11 HD12 ' A' ' 32' ' ' ILE . 34.6 m -101.56 143.34 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.136 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.26 105.64 14.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.9 p -62.28 139.85 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.505 HD11 HG12 ' A' ' 11' ' ' ILE . 12.1 mt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.174 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -136.84 144.96 43.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.358 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -150.66 169.19 22.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.947 HG13 HD11 ' A' ' 64' ' ' ILE . 2.8 mt -138.78 138.94 41.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.46 101.47 4.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.542 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -68.8 -11.07 60.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.542 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 98.3 m-85 -162.89 156.72 20.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -68.83 136.52 52.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 62.1 t80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.832 0.349 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.2 tmm? -114.32 127.1 55.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 59.7 p -92.1 147.47 22.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -146.64 151.54 37.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.3 mtp85 -95.56 149.76 21.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -58.63 133.16 55.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.55 -28.24 16.39 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.498 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -65.14 154.14 38.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.852 0.358 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.3 ttm-85 -108.88 120.73 43.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 36.6 mt -89.92 123.41 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 55.9 m -78.2 81.14 4.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.143 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.9 mt -39.46 136.53 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.924 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.6 mt -122.12 -36.36 2.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.414 ' NH1' ' HB2' ' A' ' 36' ' ' ARG . 3.5 ptm85 -171.43 177.17 3.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -118.3 115.25 24.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.421 HG21 HG22 ' A' ' 55' ' ' ILE . 43.9 t -74.43 -70.74 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -111.43 -178.31 3.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -71.32 -18.31 62.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.565 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 90.0 m-20 -130.8 37.01 3.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.656 ' N ' HD11 ' A' ' 58' ' ' ILE . 80.2 m95 -157.97 115.53 2.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.584 ' CD2' HD12 ' A' ' 58' ' ' ILE . 15.7 m-85 -103.45 138.54 40.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -93.14 143.16 26.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -170.74 164.33 37.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.473 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -122.43 168.46 12.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 0.0 110.86 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 39.0 mm . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 121.643 0.735 . . . . 0.0 111.104 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.421 HG22 HG21 ' A' ' 38' ' ' VAL . 11.8 pt -155.0 161.22 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.358 . . . . 0.0 111.135 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.43 ' CE1' ' O ' ' A' ' 43' ' ' TYR . 6.0 p90 -173.64 155.53 2.58 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.651 0.738 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.592 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 54.5 Cg_endo -69.75 167.03 25.6 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.655 2.237 . . . . 0.0 112.375 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.656 HD11 ' N ' ' A' ' 42' ' ' TRP . 2.1 mm -80.45 -61.65 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 58' ' ' ILE . 77.2 p -33.85 -45.33 0.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.592 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 17.2 m-85 -57.76 -54.5 46.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.949 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.47 ' O ' HG23 ' A' ' 61' ' ' VAL . 5.6 m -94.82 126.21 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.128 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -94.38 109.67 21.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 42.0 t -73.85 113.26 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.947 HD11 HG13 ' A' ' 11' ' ' ILE . 5.3 mp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.097 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -127.03 130.72 50.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.855 0.359 . . . . 0.0 110.897 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -118.82 167.38 11.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 40.5 mm -134.91 120.47 30.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.22 105.78 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.407 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 22.7 mmmt -74.81 -21.57 59.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' A' ' 13' ' ' LYS . 69.0 m-85 -150.65 152.51 34.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -68.74 113.46 6.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . 79.4 t80 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.853 0.359 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.4 tmm? -122.98 124.82 44.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 76.2 p -86.94 134.82 33.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.814 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.541 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 6.7 p90 -131.09 152.78 50.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.841 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -97.83 157.75 15.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -54.75 138.57 41.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.07 -38.96 3.14 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -47.12 138.43 6.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.896 0.379 . . . . 0.0 110.893 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -93.36 135.94 34.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.609 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 42.4 mt -112.58 103.82 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.168 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.3 m -63.86 87.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.9 mt -44.43 129.98 6.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.966 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 47.9 mt -115.54 -42.73 3.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -168.08 161.15 12.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.546 ' HG3' ' CD1' ' A' ' 43' ' ' TYR . 9.6 tt0 -102.17 111.1 23.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.538 HG23 ' HB2' ' A' ' 44' ' ' GLU . 46.1 t -70.15 -63.36 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.446 ' OD1' HG12 ' A' ' 38' ' ' VAL . 3.2 m-20 -119.22 176.96 5.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -69.13 -22.08 63.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.57 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 20.7 m120 -126.13 31.79 5.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.758 ' N ' HD11 ' A' ' 58' ' ' ILE . 67.7 m95 -155.62 117.11 3.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.958 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.623 ' CD2' HD12 ' A' ' 58' ' ' ILE . 23.8 m-85 -103.46 146.85 27.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.538 ' HB2' HG23 ' A' ' 38' ' ' VAL . 4.9 tp10 -102.53 146.12 28.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.867 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.44 169.09 40.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.469 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -125.96 166.31 17.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.744 0.307 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.0 mm . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 121.617 0.722 . . . . 0.0 111.137 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.486 HG22 HG21 ' A' ' 38' ' ' VAL . 29.8 pt -84.23 168.48 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.887 0.375 . . . . 0.0 111.14 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.609 ' CZ ' HG21 ' A' ' 32' ' ' ILE . 7.6 p90 -171.23 155.44 4.29 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.671 0.748 . . . . 0.0 110.857 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.583 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.3 Cg_endo -69.82 166.98 25.86 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.689 2.259 . . . . 0.0 112.329 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.758 HD11 ' N ' ' A' ' 42' ' ' TRP . 2.1 mm -80.5 -60.83 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 58' ' ' ILE . 29.2 p -34.3 -47.57 0.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.141 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.583 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 18.1 m-85 -55.31 -49.11 73.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 61' ' ' VAL . 14.2 m -102.41 121.34 53.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.161 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -89.99 109.13 20.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 91.0 t -69.55 145.61 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.051 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.1 mt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.066 179.955 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.422 ' N ' HD12 ' A' ' 34' ' ' LEU . 2.0 tp10 -147.14 150.68 35.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.845 0.355 . . . . 0.0 110.891 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -150.88 161.31 42.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.445 HG12 HD11 ' A' ' 64' ' ' ILE . 49.9 mm -123.02 130.22 74.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.084 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.27 93.37 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.1 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.3 mtmm -55.42 -24.84 32.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -147.4 175.05 11.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -86.54 143.03 27.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.1 t80 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.833 0.349 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 47.4 ttp -108.11 116.6 32.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 84.3 p -83.76 130.69 34.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -131.09 151.51 51.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -88.64 134.14 33.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.5 ttpp -50.89 121.05 5.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.57 -40.18 2.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.478 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -66.52 136.82 56.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.859 0.361 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.419 ' HA ' HD13 ' A' ' 11' ' ' ILE . 13.7 ptp180 -71.09 170.93 11.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.431 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 46.2 mt -139.29 109.02 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.1 m -64.02 93.33 0.09 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.422 HD12 ' N ' ' A' ' 9' ' ' GLU . 33.6 mt -54.18 134.2 44.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 58.0 mt -117.53 -42.12 2.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -171.57 157.35 4.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.423 ' CD ' ' CE1' ' A' ' 43' ' ' TYR . 57.2 tt0 -99.79 114.55 27.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.2 t -72.49 -67.95 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -110.84 -175.77 2.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.0 mp0 -76.74 -14.61 59.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.519 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 44.8 m-80 -134.13 33.32 3.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.631 ' N ' HD11 ' A' ' 58' ' ' ILE . 71.5 m95 -155.24 115.35 3.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.565 ' CD2' HD12 ' A' ' 58' ' ' ILE . 15.1 m-85 -100.18 155.79 17.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -117.23 141.59 48.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -173.28 178.19 45.35 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -123.96 168.46 12.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.319 . . . . 0.0 110.874 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.7 mm . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.638 0.732 . . . . 0.0 111.141 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 38.4 pt -123.15 169.92 13.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.895 0.379 . . . . 0.0 111.115 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.431 ' CZ ' HG21 ' A' ' 32' ' ' ILE . 11.5 p90 -171.9 155.27 3.73 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.609 0.719 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.525 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.5 Cg_endo -69.78 168.62 21.05 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.352 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.631 HD11 ' N ' ' A' ' 42' ' ' TRP . 1.8 mm -82.97 -58.71 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.074 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 58' ' ' ILE . 63.4 p -35.07 -38.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.525 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 11.8 m-85 -66.12 -49.43 67.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 58' ' ' ILE . 7.3 m -100.05 128.48 51.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.437 ' OD1' ' C ' ' A' ' 62' ' ' ASP . 8.4 t0 -97.75 114.85 26.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 71.2 t -60.03 140.27 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.445 HD11 HG12 ' A' ' 11' ' ' ILE . 59.0 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.444 -0.263 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -135.46 135.42 40.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 0.0 110.906 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -141.16 140.3 34.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.506 HD13 ' HA ' ' A' ' 31' ' ' ARG . 28.4 mm -113.24 133.12 60.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.083 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.27 111.18 3.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -84.29 -31.04 25.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -132.85 152.16 51.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -61.08 136.1 57.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.516 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . 46.0 t80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.851 0.358 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.431 ' HE3' HD11 ' A' ' 47' ' ' ILE . 41.8 ttp -130.57 81.87 2.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.9 m -51.3 123.04 8.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.894 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.516 ' CE1' ' HB2' ' A' ' 16' ' ' PHE . 5.7 p90 -135.92 160.5 38.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.865 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.8 ttp180 -109.08 147.23 32.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.853 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.1 ttpp -53.32 121.25 7.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.51 -51.36 0.82 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.536 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -59.31 135.91 57.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.806 0.336 . . . . 0.0 110.886 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.506 ' HA ' HD13 ' A' ' 11' ' ' ILE . 11.4 ptp180 -74.19 174.99 7.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.508 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 69.6 mt -146.75 111.67 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.8 m -68.84 82.49 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.4 mt -44.84 111.1 0.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.0 mt -91.33 -42.69 10.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -170.03 -177.17 2.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -120.44 117.31 27.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.9 t -78.21 -64.54 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -112.17 -176.84 3.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -77.83 -17.28 57.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.511 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 16.9 m-80 -130.15 31.27 4.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.547 ' N ' HD11 ' A' ' 58' ' ' ILE . 70.2 m95 -154.52 117.2 4.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.969 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.561 ' CD2' HD12 ' A' ' 58' ' ' ILE . 14.3 m-85 -100.74 152.34 20.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.885 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -110.92 144.02 40.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -174.63 169.63 42.62 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -124.79 171.44 10.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.805 0.336 . . . . 0.0 110.889 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.431 HD11 ' HE3' ' A' ' 24' ' ' MET . 25.5 mm . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.587 0.708 . . . . 0.0 111.133 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 30.7 pt -115.07 164.14 11.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.856 0.36 . . . . 0.0 111.117 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.508 ' CZ ' HG21 ' A' ' 32' ' ' ILE . 7.2 p90 -175.01 155.27 1.82 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.663 0.744 . . . . 0.0 110.868 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.462 ' HD3' ' CZ3' ' A' ' 42' ' ' TRP . 54.1 Cg_endo -69.7 174.47 9.4 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 2.243 . . . . 0.0 112.373 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.561 HD12 ' CD2' ' A' ' 43' ' ' TYR . 1.8 mm -86.52 -62.21 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.148 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 58' ' ' ILE . 73.3 p -34.16 -39.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -63.69 -49.25 73.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.477 ' O ' HG23 ' A' ' 61' ' ' VAL . 29.7 m -101.45 124.14 55.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -86.9 109.88 19.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 48.8 t -68.64 126.75 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.0 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.143 179.93 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -136.95 161.92 34.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.359 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -166.36 136.8 3.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.078 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.3 mm -110.6 128.78 66.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.23 99.49 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.3 mmmt -63.73 -29.71 70.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -135.67 178.33 7.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -92.22 137.61 32.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 61.1 t80 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.834 0.349 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.0 tmm? -95.36 127.33 41.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.8 m -98.17 137.96 36.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -130.19 168.08 17.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 ttp85 -105.86 144.96 31.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -58.62 95.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.5 41.05 0.64 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -128.54 148.82 50.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.808 0.337 . . . . 0.0 110.914 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -79.53 140.29 37.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.5 mt -125.93 100.35 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 19.4 m -67.44 91.64 0.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.2 mt -51.87 116.56 2.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.537 HD11 ' HD3' ' A' ' 46' ' ' ARG . 55.5 mt -99.2 -37.89 9.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -171.49 167.96 6.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -110.65 109.58 19.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.647 HG21 HG22 ' A' ' 55' ' ' ILE . 91.3 t -68.53 -64.45 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.074 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -115.1 167.82 10.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.849 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -62.77 -23.83 67.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.598 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 16.8 m120 -121.98 30.85 6.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.598 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 54.7 m95 -154.11 117.71 4.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.712 ' CD2' HD12 ' A' ' 58' ' ' ILE . 23.5 m-85 -99.26 149.45 23.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -106.52 151.57 24.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.46 168.75 32.71 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.478 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.537 ' HD3' HD11 ' A' ' 35' ' ' LEU . 14.6 ptt180 -123.26 -179.97 4.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.772 0.32 . . . . 0.0 110.852 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.9 mm . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.65 0.738 . . . . 0.0 111.125 179.953 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.647 HG22 HG21 ' A' ' 38' ' ' VAL . 21.5 pt -127.18 167.58 21.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.834 0.35 . . . . 0.0 111.152 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -175.01 155.12 1.8 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.626 0.727 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.539 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.9 Cg_endo -69.71 176.38 6.81 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.694 2.262 . . . . 0.0 112.309 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.712 HD12 ' CD2' ' A' ' 43' ' ' TYR . 4.5 mm -89.3 -60.4 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 58' ' ' ILE . 24.2 p -34.0 -47.81 0.28 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.539 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 21.1 m-85 -54.44 -54.33 42.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.508 ' O ' HG23 ' A' ' 61' ' ' VAL . 27.3 m -99.99 122.21 51.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.168 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.61 106.16 16.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.0 t -66.85 113.64 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.08 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.629 HD12 ' H ' ' A' ' 64' ' ' ILE . 5.3 mp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -162.96 142.18 8.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.879 0.371 . . . . 0.0 110.915 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -151.29 145.83 25.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.103 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.1 mm -116.61 131.26 69.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.67 90.4 0.4 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -58.11 -34.41 70.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -131.7 165.63 23.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -83.88 124.78 31.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.561 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . 57.4 t80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.838 0.351 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.1 tmm? -104.82 133.07 50.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 90.5 p -100.52 132.8 45.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.804 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.561 ' CE1' ' HB2' ' A' ' 16' ' ' PHE . 3.0 p90 -128.23 147.86 50.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -84.48 144.31 28.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -56.13 98.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.15 36.67 1.19 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.478 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -114.04 153.09 30.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.813 0.34 . . . . 0.0 110.925 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.467 ' CZ ' ' HB2' ' A' ' 31' ' ' ARG . 15.1 ttm105 -91.48 115.71 28.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.6 mt -109.58 110.01 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.2 m -64.66 105.03 0.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.475 HD11 HG23 ' A' ' 63' ' ' VAL . 37.0 mt -61.95 101.29 0.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.944 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.645 HD12 ' HA2' ' A' ' 45' ' ' GLY . 8.2 mt -86.09 -61.21 1.8 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.01 -175.03 4.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.634 ' CD ' ' CE1' ' A' ' 43' ' ' TYR . 62.1 tt0 -129.28 97.7 4.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.499 HG23 ' HB2' ' A' ' 44' ' ' GLU . 96.0 t -55.86 -61.78 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.6 157.29 26.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -48.8 -24.96 1.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.729 ' C ' HD11 ' A' ' 58' ' ' ILE . 14.3 m-20 -123.64 35.31 4.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.891 ' N ' HD11 ' A' ' 58' ' ' ILE . 63.2 m95 -154.18 117.95 4.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.634 ' CE1' ' CD ' ' A' ' 37' ' ' GLN . 30.2 m-85 -107.27 128.79 54.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.499 ' HB2' HG23 ' A' ' 38' ' ' VAL . 23.6 tt0 -89.76 128.9 36.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.645 ' HA2' HD12 ' A' ' 35' ' ' LEU . . . -157.99 171.18 34.96 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -125.83 179.22 5.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.777 0.323 . . . . 0.0 110.838 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.2 mm . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.642 0.734 . . . . 0.0 111.099 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 32.8 pt -108.59 167.89 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 111.119 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.579 ' CE1' ' O ' ' A' ' 43' ' ' TYR . 5.6 p90 -174.94 156.13 1.98 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.609 0.718 . . . . 0.0 110.928 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.586 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.9 Cg_endo -69.77 155.93 64.65 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.622 2.215 . . . . 0.0 112.358 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.891 HD11 ' N ' ' A' ' 42' ' ' TRP . 2.6 mm -69.26 -62.06 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 58' ' ' ILE . 25.0 p -34.06 -53.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.586 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 9.6 m-85 -47.03 -56.2 6.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 61' ' ' VAL . 34.4 m -98.46 120.72 48.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.1 105.9 18.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.487 ' O ' HG13 ' A' ' 63' ' ' VAL . 8.0 p -72.87 119.65 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.2 mp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.169 179.922 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -136.49 159.74 40.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.887 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -163.54 145.65 9.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.3 mm -113.63 137.37 47.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.05 105.45 5.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -78.5 -22.98 46.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -141.99 147.05 36.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -66.02 135.94 55.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.497 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . 18.3 t80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.87 0.367 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 11.5 tmm? -126.96 124.74 40.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.2 m -87.32 126.77 35.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.497 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 29.3 p90 -129.15 154.6 46.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.3 ttt-85 -95.43 143.8 26.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -58.84 130.0 44.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 105.59 -41.29 2.2 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.439 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.44 138.98 58.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.816 0.341 . . . . 0.0 110.922 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -74.87 167.33 22.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 17.2 mt -137.76 108.17 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.458 HG21 ' NH2' ' A' ' 46' ' ' ARG . 23.3 m -64.46 94.64 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 42.2 mt -55.37 131.78 46.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.1 mt -113.36 -43.68 3.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -168.74 154.98 6.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -93.31 106.06 18.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.736 HG21 HG22 ' A' ' 55' ' ' ILE . 97.0 t -62.46 -59.43 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.143 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -128.13 -177.2 4.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -73.94 -13.32 60.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.496 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 30.9 m-80 -134.35 33.01 3.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.614 ' N ' HD11 ' A' ' 58' ' ' ILE . 88.5 m95 -158.52 115.03 2.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.572 ' CD2' HD12 ' A' ' 58' ' ' ILE . 14.5 m-85 -100.46 142.62 31.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.697 ' HB2' HG23 ' A' ' 38' ' ' VAL . 9.8 tt0 -103.91 145.76 29.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.67 171.89 44.15 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.512 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.458 ' NH2' HG21 ' A' ' 33' ' ' THR . 22.7 ptt85 -114.72 178.4 4.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.872 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 39.1 mm . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.594 0.711 . . . . 0.0 111.161 179.968 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.736 HG22 HG21 ' A' ' 38' ' ' VAL . 43.7 pt -116.03 165.46 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 111.148 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -164.54 155.07 12.83 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.623 0.725 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.588 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 54.2 Cg_endo -69.68 165.25 31.49 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.727 2.285 . . . . 0.0 112.332 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.614 HD11 ' N ' ' A' ' 42' ' ' TRP . 1.8 mm -80.49 -63.15 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 58' ' ' ILE . 24.9 p -33.95 -42.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.136 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.588 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 9.9 m-85 -57.11 -48.74 77.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 58' ' ' ILE . 11.7 m -99.84 143.38 13.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.159 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 62' ' ' ASP . 0.1 OUTLIER -104.57 112.42 25.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 88.7 t -74.04 129.24 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.8 mt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 179.93 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -150.45 143.2 24.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.884 0.374 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.623 ' HB2' HD11 ' A' ' 34' ' ' LEU . . . -138.56 174.44 10.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.505 HD13 ' HA ' ' A' ' 31' ' ' ARG . 20.5 mm -143.86 124.08 8.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.6 141.43 48.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.457 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 8.7 mtpt -119.46 -5.87 10.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.457 ' CD1' ' O ' ' A' ' 13' ' ' LYS . 61.3 m-85 -154.38 146.32 23.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -55.61 140.1 42.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.739 ' CD2' ' CE2' ' A' ' 26' ' ' PHE . 41.0 t80 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 . . . . . 0 CA--C 1.527 0.072 0 CA-C-O 120.794 0.331 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.472 ' HB2' ' N ' ' A' ' 54' ' ' GLY . 10.0 tmm? -90.4 127.3 36.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 87.1 p -84.52 141.74 30.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.739 ' CE2' ' CD2' ' A' ' 16' ' ' PHE . 18.8 p90 -143.2 166.18 25.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -120.17 135.82 54.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.433 ' HD3' ' C ' ' A' ' 13' ' ' LYS . 14.8 tptm -45.3 135.68 5.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.88 -21.97 38.66 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.457 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -83.66 132.67 34.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.505 ' HA ' HD13 ' A' ' 11' ' ' ILE . 15.4 ptt-85 -76.07 166.35 23.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 34' ' ' LEU . 15.7 mt -135.69 109.05 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 40.7 m -61.21 76.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.623 HD11 ' HB2' ' A' ' 10' ' ' ALA . 97.4 mt -46.14 113.65 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.6 mt -95.02 -41.45 9.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -168.79 158.57 9.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -95.76 102.0 13.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.824 HG23 ' HB2' ' A' ' 44' ' ' GLU . 73.3 t -57.6 -62.23 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.176 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -120.96 176.96 5.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -67.42 -20.62 65.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.543 ' C ' HD11 ' A' ' 58' ' ' ILE . 30.9 m-80 -129.11 31.95 4.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.64 ' N ' HD11 ' A' ' 58' ' ' ILE . 74.7 m95 -153.58 115.65 4.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.542 ' CD2' HD12 ' A' ' 58' ' ' ILE . 17.3 m-85 -100.65 137.83 38.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.824 ' HB2' HG23 ' A' ' 38' ' ' VAL . 7.9 tt0 -98.22 151.27 20.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 176.03 176.73 44.48 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.449 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.0 ptt180 -131.88 165.63 23.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.33 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.6 mm . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 121.568 0.699 . . . . 0.0 111.122 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.472 ' N ' ' HB2' ' A' ' 24' ' ' MET . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.735 HG22 HG21 ' A' ' 38' ' ' VAL . 28.9 pt -123.53 169.8 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 0.0 111.087 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.436 ' CZ ' ' O ' ' A' ' 43' ' ' TYR . 27.7 p90 -173.81 154.43 2.31 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.7 0.762 . . . . 0.0 110.858 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.588 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 54.0 Cg_endo -69.77 167.01 25.69 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.718 2.278 . . . . 0.0 112.296 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.64 HD11 ' N ' ' A' ' 42' ' ' TRP . 2.4 mm -81.32 -63.08 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 58' ' ' ILE . 45.1 p -33.36 -52.53 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.181 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.588 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 21.6 m-85 -47.65 -49.77 26.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' A' ' 58' ' ' ILE . 16.8 m -95.47 164.75 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.135 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -125.48 110.3 13.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.9 t -69.34 132.49 33.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.5 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 179.872 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -136.63 151.54 49.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -156.93 164.22 38.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.052 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.0 mt -132.9 137.05 54.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.08 94.67 0.9 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -54.21 -25.0 20.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -144.75 177.68 8.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -91.83 122.23 34.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . 82.4 t80 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.866 0.365 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.4 ttp -106.39 119.63 39.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 89.7 p -82.58 140.75 33.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 14.3 p90 -141.41 154.12 45.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -103.23 141.63 35.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.842 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.3 tttp -48.56 136.87 12.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.96 -36.39 3.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -58.83 146.2 38.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 -100.54 126.28 46.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.449 ' CD1' HG12 ' A' ' 61' ' ' VAL . 15.7 mt -96.13 118.12 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 34' ' ' LEU . 89.3 m -73.32 82.0 1.38 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 33' ' ' THR . 12.9 mt -35.18 144.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.9 mt -132.41 -46.46 0.9 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -165.48 158.74 16.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -97.52 110.08 22.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.781 HG23 ' HB2' ' A' ' 44' ' ' GLU . 58.7 t -72.23 -56.08 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.106 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -127.28 165.48 19.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -57.56 -28.6 63.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.443 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 83.0 m-20 -121.88 31.0 6.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.443 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 60.5 m95 -151.05 115.89 5.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.612 ' CD2' HD12 ' A' ' 58' ' ' ILE . 9.7 m-85 -99.25 143.41 29.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.781 ' HB2' HG23 ' A' ' 38' ' ' VAL . 4.6 tt0 -103.66 143.69 32.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.948 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -173.24 170.65 43.8 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -118.85 -176.73 3.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.837 0.351 . . . . 0.0 110.84 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 25.6 mm . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.633 0.73 . . . . 0.0 111.132 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.739 HG22 HG21 ' A' ' 38' ' ' VAL . 13.4 pt -131.22 168.06 24.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.879 0.371 . . . . 0.0 111.135 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -174.81 154.32 1.8 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.616 0.722 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.507 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 54.1 Cg_endo -69.71 173.75 10.46 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.612 HD12 ' CD2' ' A' ' 43' ' ' TYR . 2.6 mm -83.83 -61.07 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 58' ' ' ILE . 63.4 p -34.06 -54.43 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.507 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 16.6 m-85 -48.33 -52.54 21.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.871 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.449 HG12 ' CD1' ' A' ' 32' ' ' ILE . 34.2 m -88.14 164.72 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.69 106.12 7.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 62.6 t -61.31 127.51 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.188 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 47.0 mm . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.175 179.916 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -77.33 149.4 35.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.886 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -143.61 153.79 42.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.071 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.43 HG12 HD11 ' A' ' 64' ' ' ILE . 31.2 mm -117.77 135.63 57.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.47 88.12 6.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -57.09 -25.09 58.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -147.77 163.99 34.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -83.95 146.9 27.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.7 t80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.865 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.839 0.352 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.5 tmm? -97.25 127.61 43.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 85.2 p -94.61 155.06 17.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.7 p90 -153.78 158.94 41.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.401 ' C ' ' OE1' ' A' ' 30' ' ' GLU . 12.6 tpt180 -102.44 151.89 21.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -56.49 131.18 47.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.79 -40.01 2.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.401 ' OE1' ' C ' ' A' ' 27' ' ' ARG . 1.6 mp0 -43.76 167.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.875 0.369 . . . . 0.0 110.852 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.442 ' C ' HG13 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -101.3 161.65 13.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.856 -179.892 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.442 HG13 ' C ' ' A' ' 31' ' ' ARG . 79.7 mt -154.98 113.05 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.7 m -83.39 95.35 8.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.4 mt -53.26 134.0 39.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.3 mt -113.17 -43.38 3.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.953 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 36' ' ' ARG . 3.4 ptp180 -161.39 179.96 7.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -120.35 106.57 11.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.773 HG21 HG22 ' A' ' 55' ' ' ILE . 61.5 t -67.22 -58.26 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -125.25 161.97 25.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -56.81 -24.56 51.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.489 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 21.2 m-80 -121.4 30.77 6.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.489 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 76.0 m95 -155.19 116.05 3.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.816 ' CD2' HD12 ' A' ' 58' ' ' ILE . 17.2 m-85 -98.88 146.54 25.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.597 ' HB2' HG23 ' A' ' 38' ' ' VAL . 19.7 tt0 -105.54 148.65 27.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -179.45 169.27 40.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.515 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -114.51 -177.44 3.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.2 mm . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.668 0.747 . . . . 0.0 111.13 179.961 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.773 HG22 HG21 ' A' ' 38' ' ' VAL . 37.2 pt -127.08 168.4 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.328 . . . . 0.0 111.185 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 16.7 p90 -169.43 155.54 6.12 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.662 0.744 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.505 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 54.2 Cg_endo -69.69 167.75 23.43 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.24 . . . . 0.0 112.376 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.816 HD12 ' CD2' ' A' ' 43' ' ' TYR . 5.7 mm -85.8 -58.83 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.083 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.0 p -38.29 -31.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.505 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 9.7 m-85 -71.02 -48.88 50.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.429 ' O ' HG23 ' A' ' 61' ' ' VAL . 34.0 m -112.09 126.8 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.129 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.28 105.33 17.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.6 p -68.81 127.16 30.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.43 HD11 HG12 ' A' ' 11' ' ' ILE . 5.2 mp . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -115.97 139.48 50.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.85 0.357 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -140.46 164.36 30.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.9 mm -132.84 127.97 56.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.116 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 27' ' ' ARG . . . -64.8 100.38 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.139 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.557 ' O ' ' CD2' ' A' ' 14' ' ' PHE . 1.5 mmmm -68.04 -11.49 59.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.557 ' CD2' ' O ' ' A' ' 13' ' ' LYS . 82.9 m-85 -162.54 159.42 24.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -70.81 150.42 45.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.0 t80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.97 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.874 0.369 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.5 ttp -100.45 110.85 23.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.4 t -72.52 158.1 36.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -161.7 157.47 24.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.478 ' O ' ' CB ' ' A' ' 12' ' ' ALA . 31.3 mtm-85 -96.66 -178.67 4.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.4 tttt -81.89 127.27 32.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.21 -28.19 12.68 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.484 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -48.78 151.55 1.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.814 0.34 . . . . 0.0 110.921 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.429 ' C ' HG13 ' A' ' 32' ' ' ILE . 14.1 mtp180 -85.75 158.93 19.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.429 HG13 ' C ' ' A' ' 31' ' ' ARG . 86.3 mt -154.22 106.1 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 85.5 m -72.24 106.16 4.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 28.2 mt -59.18 109.49 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.75 HD11 ' HE ' ' A' ' 46' ' ' ARG . 25.6 mt -87.86 -45.41 10.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -168.54 161.63 11.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -99.64 99.65 10.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.689 HG23 ' HB2' ' A' ' 44' ' ' GLU . 85.6 t -62.13 -59.35 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.087 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -124.78 171.62 9.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -64.44 -23.65 67.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.414 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 3.7 m120 -123.7 29.93 6.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.486 ' N ' HD11 ' A' ' 58' ' ' ILE . 69.4 m95 -151.97 119.49 6.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.942 ' CD2' HD12 ' A' ' 58' ' ' ILE . 8.9 m-85 -106.67 134.63 49.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.689 ' HB2' HG23 ' A' ' 38' ' ' VAL . 32.3 tt0 -96.4 157.33 15.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.449 ' N ' ' HG2' ' A' ' 44' ' ' GLU . . . 171.27 175.46 39.73 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.476 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.75 ' HE ' HD11 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -120.29 -179.16 3.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.813 0.34 . . . . 0.0 110.867 -179.85 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.9 mm . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 121.609 0.719 . . . . 0.0 111.145 179.968 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.644 HG22 HG21 ' A' ' 38' ' ' VAL . 15.0 pt -117.0 169.79 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.913 0.387 . . . . 0.0 111.087 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.594 ' CE1' ' O ' ' A' ' 43' ' ' TYR . 16.2 p90 -174.13 153.78 2.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.691 0.757 . . . . 0.0 110.872 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.489 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.7 Cg_endo -69.79 166.93 25.97 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.642 2.228 . . . . 0.0 112.355 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.942 HD12 ' CD2' ' A' ' 43' ' ' TYR . 3.9 mm -84.22 -60.3 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 58' ' ' ILE . 24.4 p -34.75 -39.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.489 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 15.2 m-85 -63.43 -47.03 83.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' A' ' 58' ' ' ILE . 34.5 m -107.73 121.97 61.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.151 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -88.28 121.68 30.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 98.2 t -80.26 119.47 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 56.4 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.925 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -117.92 159.7 22.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.929 0.395 . . . . 0.0 110.843 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.27 156.9 29.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.063 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.531 HD13 ' HA ' ' A' ' 31' ' ' ARG . 44.5 mm -129.25 130.92 67.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.28 117.35 11.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -75.53 -36.53 60.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -134.24 -176.36 4.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -94.41 128.51 41.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.558 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . 29.7 t80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.859 0.361 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.9 tmm? -131.36 138.47 49.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.6 p -101.64 124.93 48.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 16' ' ' PHE . 2.2 p90 -124.19 148.16 47.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -87.29 138.35 31.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -56.47 99.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 134.14 -36.41 2.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.505 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -71.91 133.14 45.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.369 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.531 ' HA ' HD13 ' A' ' 11' ' ' ILE . 28.3 ptt180 -65.59 171.98 3.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.602 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 18.1 mt -136.34 107.44 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.183 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.1 m -62.36 91.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.161 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 44.2 mt -53.69 104.64 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.446 HD21 ' NH1' ' A' ' 46' ' ' ARG . 18.2 mt -86.55 -43.66 12.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -169.61 166.12 10.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -103.65 104.75 14.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.774 HG21 HG22 ' A' ' 55' ' ' ILE . 53.2 t -62.84 -62.61 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.1 174.89 7.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -64.53 -18.4 64.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.589 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 25.1 m-80 -131.47 39.07 3.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.589 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 74.9 m95 -159.15 110.6 2.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.556 ' CD2' HD12 ' A' ' 58' ' ' ILE . 13.8 m-85 -95.51 141.8 28.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.473 ' HB2' HG23 ' A' ' 38' ' ' VAL . 22.8 tt0 -101.73 141.88 33.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 177.91 162.23 27.51 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.471 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.446 ' NH1' HD21 ' A' ' 35' ' ' LEU . 7.0 ptp85 -123.22 176.67 5.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 110.855 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.4 mm . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.628 0.727 . . . . 0.0 111.127 179.984 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.774 HG22 HG21 ' A' ' 38' ' ' VAL . 32.2 pt -126.92 169.38 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.891 0.377 . . . . 0.0 111.121 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.602 ' CZ ' HG21 ' A' ' 32' ' ' ILE . 16.7 p90 -175.04 155.02 1.78 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.603 0.715 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.595 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.6 Cg_endo -69.79 165.38 31.2 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.664 2.242 . . . . 0.0 112.356 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.556 HD12 ' CD2' ' A' ' 43' ' ' TYR . 3.0 mm -75.38 -62.91 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 58' ' ' ILE . 36.7 p -33.44 -50.74 0.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.168 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.595 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 8.8 m-85 -49.19 -47.69 45.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 58' ' ' ILE . 22.2 m -96.75 157.07 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.132 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.89 115.27 22.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.0 t -75.11 133.43 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 48.0 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 179.922 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -70.56 -55.58 8.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.895 0.379 . . . . 0.0 110.845 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.7 m -121.14 129.64 53.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.823 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.57 110.82 2.31 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.1 p -162.19 149.85 14.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.82 0.343 . . . . 0.0 110.873 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t -99.4 154.0 18.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.36 -98.75 0.25 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.493 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 163.23 -167.2 37.42 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.487 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -130.18 150.14 51.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.903 0.382 . . . . 0.0 110.846 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -146.57 167.85 22.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.077 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.8 mm -132.86 125.53 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.98 99.5 0.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -60.77 -24.6 65.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -147.61 -179.09 6.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -91.3 140.85 29.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.441 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . 31.0 t80 -115.24 136.28 53.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.823 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.425 ' CG ' ' O ' ' A' ' 17' ' ' ASN . 6.2 p30 -120.69 88.43 2.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.41 145.69 32.1 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.533 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -106.49 -35.82 6.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 0.0 110.823 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 50.1 p -99.14 147.57 24.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -50.74 -43.41 58.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 98.5 t -49.05 -41.32 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.113 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -80.39 153.03 28.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -124.4 138.72 54.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 89.1 p -100.71 141.15 33.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.441 ' CE1' ' HB2' ' A' ' 16' ' ' PHE . 4.5 p90 -139.24 149.03 43.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.403 ' HB3' ' CG ' ' A' ' 30' ' ' GLU . 68.1 ttt180 -91.55 143.68 26.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.3 tttp -51.73 118.96 3.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.43 -32.72 7.04 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.445 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.403 ' CG ' ' HB3' ' A' ' 27' ' ' ARG . 32.9 mm-40 -51.51 145.04 9.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.79 0.328 . . . . 0.0 110.908 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -86.01 122.11 29.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.415 HG12 HD11 ' A' ' 47' ' ' ILE . 33.3 mt -102.31 103.08 14.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.9 m -65.16 90.66 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 52.9 mt -52.35 127.6 22.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.958 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.5 mt -111.15 -51.09 2.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -163.13 155.75 18.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.5 ' CD ' ' CE1' ' A' ' 43' ' ' TYR . 59.8 tt0 -95.31 115.77 27.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.671 HG21 HG22 ' A' ' 55' ' ' ILE . 94.2 t -69.65 -65.48 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -118.84 -175.41 2.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -71.83 -21.18 61.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.551 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 57.1 m-20 -129.74 37.8 3.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.721 ' N ' HD11 ' A' ' 58' ' ' ILE . 82.3 m95 -158.37 115.62 2.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.629 ' CD2' HD12 ' A' ' 58' ' ' ILE . 10.2 m-85 -102.78 147.06 27.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.938 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.407 ' HB2' HG23 ' A' ' 38' ' ' VAL . 6.9 tt0 -105.96 150.31 25.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 175.94 165.57 32.02 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.496 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.0 ptt85 -114.17 174.23 6.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.329 . . . . 0.0 110.862 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.651 HG23 ' HD2' ' A' ' 48' ' ' PRO . 48.9 mm -123.19 138.51 30.01 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.673 0.749 . . . . 0.0 111.128 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.651 ' HD2' HG23 ' A' ' 47' ' ' ILE . 53.7 Cg_endo -69.74 128.36 15.93 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.716 2.277 . . . . 0.0 112.344 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.42 -34.35 5.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.461 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 41.6 p -105.55 -10.01 17.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.789 0.328 . . . . 0.0 111.153 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.8 m 40.77 34.32 0.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 -79.35 165.4 23.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -154.24 138.31 16.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 177.62 -149.94 9.67 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.671 HG22 HG21 ' A' ' 38' ' ' VAL . 11.1 pt -125.55 168.53 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 0.0 111.131 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -172.8 155.77 3.12 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.684 0.754 . . . . 0.0 110.859 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.587 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.4 Cg_endo -69.82 163.74 37.18 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.721 HD11 ' N ' ' A' ' 42' ' ' TRP . 2.0 mm -78.04 -63.27 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.144 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 58' ' ' ILE . 1.6 p -34.07 -37.76 0.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.587 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 7.5 m-85 -62.01 -51.39 68.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 58' ' ' ILE . 4.1 m -102.21 136.81 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.156 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -108.64 106.73 16.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.1 p -77.64 143.21 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.556 ' N ' HD12 ' A' ' 64' ' ' ILE . 4.1 mp -85.06 -43.25 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.4 t -69.44 92.87 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -164.95 -158.98 10.81 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.468 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 175.89 7.51 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.731 2.288 . . . . 0.0 112.337 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.5 t -90.82 135.28 33.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.834 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.8 t -145.19 140.79 28.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.487 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.1 p -161.87 135.18 6.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 110.854 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.7 m -99.81 97.21 8.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.18 128.92 4.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.506 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 t -85.9 98.98 11.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 0.0 110.857 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 m -75.22 -44.62 45.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.837 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.62 -88.24 1.36 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.522 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 173.62 -159.43 29.22 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -146.73 131.56 18.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.886 0.374 . . . . 0.0 110.895 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -132.24 147.43 52.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.8 mm -111.44 129.39 66.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.6 91.51 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.044 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -51.61 -40.88 60.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -133.9 178.83 6.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -89.7 137.02 32.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -112.78 133.95 54.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -116.33 81.99 1.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.54 122.35 14.39 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -78.47 -41.58 32.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.864 0.364 . . . . 0.0 110.849 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.3 p -81.29 158.95 24.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.119 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.436 ' HG3' ' N ' ' A' ' 22' ' ' VAL . 27.6 pt20 -65.73 -44.73 85.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.436 ' N ' ' HG3' ' A' ' 21' ' ' GLN . 6.7 p -52.44 -41.59 36.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.111 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -65.94 128.71 37.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 31.4 ttp -99.27 99.76 10.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.1 p -67.61 148.75 50.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -149.81 162.68 39.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.9 mtm180 -104.8 159.21 15.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -60.68 144.54 51.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.0 -38.98 3.13 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.526 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -43.85 157.52 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -114.86 118.81 34.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.578 HG12 HD11 ' A' ' 47' ' ' ILE . 46.6 mt -100.43 114.72 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 37.1 m -69.14 86.5 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.1 mt -42.9 137.82 2.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.962 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 53.7 mt -124.53 -49.36 1.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -158.75 173.24 16.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -118.01 108.22 14.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.0 t -65.94 -69.82 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -106.75 -179.5 3.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -76.29 -12.46 60.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.526 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 12.3 m-80 -133.85 33.05 3.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.526 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 69.3 m95 -154.83 117.35 4.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.814 ' CD2' HD12 ' A' ' 58' ' ' ILE . 9.6 m-85 -99.15 145.88 26.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -105.91 157.24 17.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 172.83 175.43 40.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.45 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -127.59 173.31 9.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.788 0.328 . . . . 0.0 110.874 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.623 HG23 ' HD2' ' A' ' 48' ' ' PRO . 49.2 mm -122.99 138.1 29.2 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.58 0.705 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.623 ' HD2' HG23 ' A' ' 47' ' ' ILE . 53.9 Cg_endo -69.78 138.14 37.08 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.697 2.265 . . . . 0.0 112.329 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.56 -39.67 3.11 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.461 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.9 p -96.99 -23.3 16.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.821 0.343 . . . . 0.0 111.124 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 72.1 m 50.29 40.2 21.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 45.4 mtp180 -95.06 129.7 42.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -118.59 138.16 52.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -169.27 -144.82 4.38 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.447 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 27.0 pt -134.98 163.3 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.915 0.388 . . . . 0.0 111.145 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -169.04 154.85 6.23 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.607 0.718 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.444 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.6 Cg_endo -69.78 177.0 6.03 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.634 2.222 . . . . 0.0 112.375 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.814 HD12 ' CD2' ' A' ' 43' ' ' TYR . 4.1 mm -90.57 -60.35 2.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 58' ' ' ILE . 57.7 p -34.36 -46.53 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.444 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 21.1 m-85 -57.03 -53.46 57.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.53 ' O ' HG23 ' A' ' 61' ' ' VAL . 25.9 m -103.6 120.94 54.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.088 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.83 105.41 17.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.5 p -74.84 131.66 34.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.4 ' H ' HD12 ' A' ' 64' ' ' ILE . 4.9 mp -89.13 -48.15 14.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.6 t -74.52 115.77 14.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -176.66 146.23 7.82 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.513 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 91.78 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.689 2.259 . . . . 0.0 112.335 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 88.2 p -77.39 133.09 38.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -120.73 15.34 11.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.82 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.467 -179.954 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -40.43 159.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.857 0.361 . . . . 0.0 110.855 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.4 p -172.47 151.29 2.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.54 -91.95 1.4 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.519 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t -132.6 134.79 45.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.926 0.393 . . . . 0.0 110.793 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.6 p -91.64 -48.7 6.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.892 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.48 -87.42 0.7 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -175.87 175.41 47.33 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.515 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -124.12 154.9 39.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.829 0.347 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -143.28 162.35 35.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.578 HG12 HD11 ' A' ' 64' ' ' ILE . 49.3 mm -124.83 118.91 54.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.533 ' HA ' HG12 ' A' ' 61' ' ' VAL . . . -66.66 91.98 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -55.33 -33.7 63.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -142.65 144.81 32.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.469 ' ND2' ' HA ' ' A' ' 27' ' ' ARG . 24.0 t-20 -63.8 125.13 23.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.867 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.536 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . 89.2 t80 -95.88 131.27 42.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -99.99 82.78 2.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.26 133.18 21.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.55 -38.34 5.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.878 0.37 . . . . 0.0 110.85 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.6 p -95.09 148.66 22.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -50.49 -57.78 7.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.474 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 17.0 m -38.99 -42.92 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.154 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.408 ' N ' HG23 ' A' ' 22' ' ' VAL . 67.9 mt-10 -80.56 141.04 35.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 12.2 tmm? -110.86 133.77 53.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 96.4 p -93.58 135.93 34.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.601 ' CG ' HD11 ' A' ' 32' ' ' ILE . 9.1 p90 -133.48 156.54 47.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.469 ' HA ' ' ND2' ' A' ' 15' ' ' ASN . 11.9 ttt180 -95.76 148.76 22.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -54.9 111.67 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.18 -35.27 4.94 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -42.29 156.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -106.07 109.99 22.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.601 HD11 ' CG ' ' A' ' 26' ' ' PHE . 74.6 mt -93.21 110.34 23.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 48.3 m -63.88 92.74 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.087 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 44' ' ' GLU . 13.4 mt -52.48 118.49 3.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.1 mt -99.41 -41.5 7.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -169.96 174.64 5.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -114.85 102.78 10.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.7 t -63.4 -68.26 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -109.49 163.21 13.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -60.48 -21.12 62.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.565 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 2.3 m-80 -124.5 33.84 5.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.565 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 70.2 m95 -156.35 118.4 3.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.766 ' CD2' HD12 ' A' ' 58' ' ' ILE . 19.3 m-85 -102.03 140.9 35.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.422 ' O ' HD23 ' A' ' 34' ' ' LEU . 28.9 tt0 -98.69 157.44 16.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 174.7 162.3 25.99 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -121.22 171.01 9.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.787 0.327 . . . . 0.0 110.888 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.652 HG23 ' HD2' ' A' ' 48' ' ' PRO . 48.5 mm -118.82 138.53 26.1 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.602 0.715 . . . . 0.0 111.172 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.652 ' HD2' HG23 ' A' ' 47' ' ' ILE . 54.3 Cg_endo -69.71 130.13 18.85 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.725 2.283 . . . . 0.0 112.379 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.61 -37.03 3.57 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.517 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.6 p -103.87 -20.14 14.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.782 0.325 . . . . 0.0 111.15 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 t 48.08 40.48 13.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 24.5 mtt85 -84.84 112.01 20.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -102.67 124.73 48.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.474 ' CA ' ' O ' ' A' ' 22' ' ' VAL . . . -162.83 -159.49 10.44 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.496 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 23.4 pt -123.81 168.74 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.874 0.369 . . . . 0.0 111.146 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.559 ' CE1' HG21 ' A' ' 61' ' ' VAL . 15.8 p90 -172.93 154.84 2.85 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.63 0.728 . . . . 0.0 110.893 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.558 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.6 Cg_endo -69.73 176.98 6.03 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.693 2.262 . . . . 0.0 112.348 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.766 HD12 ' CD2' ' A' ' 43' ' ' TYR . 4.4 mm -90.44 -60.65 2.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 58' ' ' ILE . 60.9 p -36.09 -30.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.12 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.558 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 11.6 m-85 -72.33 -48.29 43.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.933 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.559 HG21 ' CE1' ' A' ' 56' ' ' PHE . 5.8 m -111.47 136.63 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.113 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -107.07 111.59 24.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.8 p -78.47 136.71 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.137 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.578 HD11 HG12 ' A' ' 11' ' ' ILE . 5.2 mp -86.39 -45.53 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.3 t -60.74 115.59 3.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 125.48 -162.4 19.75 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.447 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.87 97.49 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.647 2.231 . . . . 0.0 112.352 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 93.7 p -137.39 118.89 14.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.8 t -65.41 133.63 51.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.518 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -55.49 111.5 0.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.902 0.382 . . . . 0.0 110.855 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.0 t -48.04 -57.51 5.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.82 -66.35 3.13 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.457 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -96.16 90.56 5.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.907 0.385 . . . . 0.0 110.906 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.6 p -114.29 104.32 11.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.822 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.8 -75.63 0.49 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.465 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -155.41 -178.41 29.62 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -134.32 129.04 34.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.876 0.369 . . . . 0.0 110.867 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -131.57 151.42 51.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.7 mm -123.75 124.34 69.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.115 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.57 101.03 0.73 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -67.8 -20.65 65.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -145.37 170.16 16.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -86.89 135.01 33.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -111.82 128.78 56.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -115.89 79.55 1.32 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.46 127.96 26.83 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -80.6 -42.76 21.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.872 0.367 . . . . 0.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.0 p -87.94 149.58 23.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.186 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -56.16 -47.9 77.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.2 p -46.29 -29.16 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -85.66 129.43 34.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 31.7 ttp -94.36 118.3 31.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.9 p -84.89 147.65 26.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -151.92 159.13 43.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -104.57 149.47 25.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -50.71 147.95 4.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.28 -40.07 3.01 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -47.05 158.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.2 ttm180 -114.6 128.72 56.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.517 HD12 HG11 ' A' ' 61' ' ' VAL . 69.6 mt -108.63 110.55 32.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 47.5 m -62.25 91.33 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.2 mt -42.39 135.99 2.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.767 HD12 ' HA2' ' A' ' 45' ' ' GLY . 11.2 mt -123.34 -55.62 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -155.46 -177.44 6.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -120.53 102.23 8.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.609 HG21 HG22 ' A' ' 55' ' ' ILE . 55.8 t -63.84 -67.28 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -112.21 168.0 9.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -62.81 -15.59 54.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.599 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 16.1 m-80 -133.35 33.42 3.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 59.2 m95 -154.87 115.69 3.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.607 ' CD2' HD12 ' A' ' 58' ' ' ILE . 28.7 m-85 -98.1 144.63 27.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.97 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.585 ' HB2' HG23 ' A' ' 38' ' ' VAL . 7.8 tm-20 -101.34 148.7 24.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.767 ' HA2' HD12 ' A' ' 35' ' ' LEU . . . -174.91 171.62 44.75 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.551 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.9 ptt85 -122.62 177.2 5.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.357 . . . . 0.0 110.849 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.624 HG23 ' HD2' ' A' ' 48' ' ' PRO . 28.8 mm -114.54 138.19 23.04 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.641 0.734 . . . . 0.0 111.155 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.624 ' HD2' HG23 ' A' ' 47' ' ' ILE . 53.5 Cg_endo -69.78 136.56 33.23 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.656 2.237 . . . . 0.0 112.355 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 97.02 -39.71 2.72 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 51.6 p -116.78 -179.77 3.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.767 0.318 . . . . 0.0 111.151 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.0 t -117.07 48.56 1.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.7 mtp-105 -99.46 122.46 42.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -135.44 159.25 42.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 177.86 -126.29 1.07 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.465 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.609 HG22 HG21 ' A' ' 38' ' ' VAL . 24.3 pt -147.11 168.42 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.363 . . . . 0.0 111.138 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.455 ' CE1' HG21 ' A' ' 61' ' ' VAL . 17.9 p90 -173.71 154.22 2.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.683 0.754 . . . . 0.0 110.877 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.594 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.6 Cg_endo -69.79 176.69 6.45 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.689 2.259 . . . . 0.0 112.308 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.607 HD12 ' CD2' ' A' ' 43' ' ' TYR . 4.9 mm -86.05 -61.59 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.111 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 58' ' ' ILE . 35.1 p -34.77 -48.02 0.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.594 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 17.8 m-85 -54.0 -55.91 22.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.517 HG11 HD12 ' A' ' 32' ' ' ILE . 30.5 m -98.2 121.22 48.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.093 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -90.69 111.58 22.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.6 t -73.68 121.35 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.428 HD12 ' H ' ' A' ' 64' ' ' ILE . 4.9 mp -74.01 -61.0 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 96.5 p -46.54 -28.81 1.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.83 -158.17 30.19 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.472 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 93.76 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.644 2.229 . . . . 0.0 112.33 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.1 m -76.68 111.49 12.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 80.0 p -108.17 97.89 7.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.501 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.9 m -139.26 165.5 27.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.876 0.37 . . . . 0.0 110.808 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -103.44 87.45 2.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.865 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.76 139.82 0.13 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.515 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.7 p -54.94 166.05 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.857 0.361 . . . . 0.0 110.877 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.2 t -78.26 125.19 29.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.826 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.41 -86.38 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.431 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 173.48 178.3 43.34 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -137.21 138.65 40.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.33 . . . . 0.0 110.931 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -146.06 168.66 20.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.2 mm -130.86 131.87 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.7 104.99 2.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.065 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.474 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 26.8 mtpp -68.48 -18.38 64.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.474 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 96.9 m-85 -159.83 172.84 16.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -80.95 136.94 36.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.535 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . 13.4 t80 -121.51 85.54 2.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -77.65 81.54 4.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.06 161.62 49.63 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.444 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -111.22 -51.82 2.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.862 0.363 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.8 p -74.56 131.74 41.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.158 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -40.05 -51.33 2.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.4 t -45.28 -41.11 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -77.5 121.39 23.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.1 tmm? -94.7 135.71 35.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.6 t -95.97 154.16 17.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.535 ' CE1' ' HB2' ' A' ' 16' ' ' PHE . 2.4 p90 -148.83 153.75 38.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 -102.28 137.63 40.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.0 ttpt -41.56 123.3 2.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.59 -42.56 1.87 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -44.26 149.32 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.341 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -91.01 144.79 25.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.829 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.601 HD13 HG11 ' A' ' 61' ' ' VAL . 26.2 mt -125.86 108.66 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.3 m -75.08 90.34 2.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 72.2 mt -49.01 130.34 18.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 30.7 mt -115.21 -50.08 2.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -156.88 161.6 39.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -109.01 98.8 8.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 80.9 t -58.54 -63.83 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -114.82 173.47 6.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.816 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -69.65 -17.6 63.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.511 ' C ' HD11 ' A' ' 58' ' ' ILE . 30.0 m120 -127.45 27.63 5.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.689 ' N ' HD11 ' A' ' 58' ' ' ILE . 55.5 m95 -149.51 120.89 7.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.654 ' CD2' HD12 ' A' ' 58' ' ' ILE . 10.4 m-85 -107.4 131.68 54.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -99.42 135.51 40.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -166.69 174.75 42.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.524 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.7 ptt-85 -123.95 178.24 5.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 110.885 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.681 HG23 ' HD2' ' A' ' 48' ' ' PRO . 24.8 mm -114.54 138.59 23.23 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.61 0.719 . . . . 0.0 111.149 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.681 ' HD2' HG23 ' A' ' 47' ' ' ILE . 54.5 Cg_endo -69.72 118.27 5.58 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.682 2.255 . . . . 0.0 112.356 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.55 -47.83 1.0 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.4 p -101.04 178.24 4.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.795 0.331 . . . . 0.0 111.144 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.5 m -108.62 42.53 1.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.824 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -95.78 104.38 16.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.494 ' OE1' ' N ' ' A' ' 54' ' ' GLY . 1.0 OUTLIER -138.32 139.16 38.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.971 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.494 ' N ' ' OE1' ' A' ' 53' ' ' GLN . . . 177.67 -149.08 9.06 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.526 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 35.0 pt -110.0 165.1 5.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.888 0.375 . . . . 0.0 111.13 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.488 ' CZ ' ' O ' ' A' ' 43' ' ' TYR . 17.1 p90 -174.88 154.76 1.82 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.655 0.74 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.545 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.7 Cg_endo -69.73 161.01 47.58 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.664 2.243 . . . . 0.0 112.381 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.689 HD11 ' N ' ' A' ' 42' ' ' TRP . 1.5 mm -79.14 -62.18 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.155 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 58' ' ' ILE . 32.4 p -34.06 -35.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.545 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 8.8 m-85 -65.08 -53.93 37.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.601 HG11 HD13 ' A' ' 32' ' ' ILE . 35.2 m -94.64 150.68 3.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.169 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.82 105.5 12.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.0 p -83.53 128.79 38.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.44 HD12 ' H ' ' A' ' 64' ' ' ILE . 4.9 mp -87.18 -69.55 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.166 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.9 t -64.11 97.19 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 173.34 -96.85 0.11 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.453 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -1.9 9.25 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.657 2.238 . . . . 0.0 112.356 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.0 t -84.54 133.41 34.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.4 m -70.05 104.76 2.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 3' ' ' SER . 40.2 m -87.4 111.62 21.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.881 0.372 . . . . 0.0 110.829 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 2' ' ' SER . 22.7 t -38.26 126.02 1.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.58 -175.51 8.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.461 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t 56.03 40.47 30.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.885 0.374 . . . . 0.0 110.88 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.1 p -60.92 152.29 27.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.72 73.24 0.23 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -132.69 130.47 5.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.495 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -125.58 -175.05 3.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.888 0.375 . . . . 0.0 110.896 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -172.0 148.87 2.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.073 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.421 HD11 ' HD2' ' A' ' 31' ' ' ARG . 20.5 mm -117.29 127.22 74.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.512 ' HB1' ' CD1' ' A' ' 26' ' ' PHE . . . -69.72 106.19 3.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -57.99 -33.28 68.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -142.0 179.94 6.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -84.6 148.85 26.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . 85.8 t80 -127.63 156.99 41.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -131.05 107.03 8.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.23 105.48 1.92 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.509 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -65.33 -37.1 86.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.889 0.376 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.4 p -110.85 170.61 7.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.089 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -69.47 -41.56 76.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.419 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 3.3 p -57.06 -20.0 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -94.6 140.85 29.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 8.3 tmm? -109.28 140.9 42.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.2 p -100.76 141.95 32.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.512 ' CD1' ' HB1' ' A' ' 12' ' ' ALA . 13.6 p90 -133.73 158.26 43.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.404 ' HB2' ' CD ' ' A' ' 30' ' ' GLU . 2.8 mpt_? -100.21 151.86 20.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.1 ttpt -64.19 106.25 1.04 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 105.52 35.71 3.01 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.486 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.404 ' CD ' ' HB2' ' A' ' 27' ' ' ARG . 18.0 mt-10 -119.81 162.38 19.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.815 0.341 . . . . 0.0 110.914 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.421 ' HD2' HD11 ' A' ' 11' ' ' ILE . 1.9 tpt180 -93.67 147.0 23.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 85.1 mt -130.87 109.75 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.178 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 83.7 m -69.53 95.57 0.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 mt -58.56 125.95 25.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.1 mt -113.46 -35.95 5.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -173.29 173.52 3.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -117.9 105.62 12.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.477 HG23 ' HB2' ' A' ' 44' ' ' GLU . 79.4 t -65.3 -61.26 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -117.14 164.07 15.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -64.21 -13.03 46.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -130.32 20.11 5.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 60.1 m95 -144.02 118.86 9.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.806 ' CD2' HD12 ' A' ' 58' ' ' ILE . 7.1 m-85 -99.68 145.35 27.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.477 ' HB2' HG23 ' A' ' 38' ' ' VAL . 13.2 tt0 -109.71 140.19 43.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.877 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -172.36 170.37 43.41 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -122.19 163.22 19.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.831 0.348 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.663 HG23 ' HD2' ' A' ' 48' ' ' PRO . 11.4 mm -111.66 138.6 21.57 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.621 0.724 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.663 ' HD2' HG23 ' A' ' 47' ' ' ILE . 53.9 Cg_endo -69.68 124.35 11.03 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.659 2.239 . . . . 0.0 112.355 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.27 -42.5 1.89 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.505 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 51' ' ' SER . 32.7 p -99.01 -7.43 26.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.815 0.341 . . . . 0.0 111.184 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 50' ' ' THR . 11.9 m 36.9 37.27 0.06 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 44.9 mtp180 -85.75 124.49 32.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -115.78 148.5 39.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.953 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.419 ' CA ' ' O ' ' A' ' 22' ' ' VAL . . . 173.44 -150.38 12.04 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.517 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.6 pt -128.02 163.63 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 111.151 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -170.13 154.15 4.9 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.632 0.73 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.527 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.7 Cg_endo -69.75 173.4 11.03 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.391 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.806 HD12 ' CD2' ' A' ' 43' ' ' TYR . 2.8 mm -90.0 -61.35 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.101 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 58' ' ' ILE . 24.9 p -34.09 -38.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.527 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 12.9 m-85 -62.27 -52.87 61.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.955 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.415 ' N ' ' O ' ' A' ' 58' ' ' ILE . 18.0 m -97.52 137.1 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.163 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.18 109.36 21.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 71.6 t -73.42 138.0 22.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.096 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.445 HD12 ' H ' ' A' ' 64' ' ' ILE . 4.6 mp -90.99 -55.3 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.2 t -57.13 106.33 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 174.75 -96.86 0.11 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 68' ' ' SER . 53.3 Cg_endo -69.78 -6.66 19.14 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.688 2.259 . . . . 0.0 112.315 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 67' ' ' PRO . 38.6 t -34.56 131.52 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.3 m -114.1 133.54 55.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.824 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.526 179.966 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.1 t -107.59 124.07 49.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 110.856 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.7 p -121.34 -54.22 1.99 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.81 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.22 -170.32 34.96 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.4 p -105.95 120.57 42.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.886 0.374 . . . . 0.0 110.846 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 7' ' ' GLY . 21.4 m -44.57 124.52 4.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -35.06 -70.23 0.18 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.503 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 173.49 -132.37 2.3 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -150.08 139.39 21.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 0.0 110.944 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.487 ' O ' HD13 ' A' ' 11' ' ' ILE . . . -141.07 151.21 43.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.078 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.635 HG12 HD11 ' A' ' 64' ' ' ILE . 8.1 mm -113.78 135.77 52.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.96 108.82 11.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.5 mmmt -70.69 -25.45 62.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -148.17 -176.13 5.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -96.82 135.29 39.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.51 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . 69.3 t80 -116.44 137.83 51.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -120.1 81.98 1.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -51.31 130.06 33.17 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.523 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.38 -36.65 20.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.909 0.385 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.4 p -99.18 167.33 10.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -65.93 -52.83 46.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.6 p -49.15 -19.98 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -88.72 133.67 34.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.414 ' C ' ' SD ' ' A' ' 24' ' ' MET . 6.0 tmm? -105.14 127.11 52.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.7 m -86.67 141.17 29.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.51 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 17.6 p90 -137.4 152.65 49.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -103.55 136.06 43.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -42.39 132.79 3.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.57 -38.95 2.93 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -43.46 158.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.866 0.365 . . . . 0.0 110.9 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.5 ttp85 -103.95 107.15 17.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.841 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.445 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 52.0 mt -90.99 104.66 15.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.071 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.2 m -69.2 90.84 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.187 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.434 HD11 ' HB2' ' A' ' 10' ' ' ALA . 18.1 mt -47.09 126.51 9.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.7 mt -108.95 -47.17 3.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.488 ' O ' ' CB ' ' A' ' 44' ' ' GLU . 31.3 ptt180 -170.13 155.78 5.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -92.71 113.69 26.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.513 HG21 HG22 ' A' ' 55' ' ' ILE . 59.6 t -75.45 -62.37 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -113.09 164.96 12.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -56.59 -24.5 48.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.54 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 3.6 m120 -127.9 34.86 4.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.867 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.54 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 60.7 m95 -153.55 116.69 4.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.71 ' CD2' HD12 ' A' ' 58' ' ' ILE . 19.7 m-85 -100.59 153.44 19.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.488 ' CB ' ' O ' ' A' ' 36' ' ' ARG . 21.3 tt0 -107.68 150.19 27.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.74 169.0 40.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.462 ' C ' HD13 ' A' ' 47' ' ' ILE . 32.0 ptt180 -128.5 161.69 28.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.332 . . . . 0.0 110.894 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.595 HG23 ' HD2' ' A' ' 48' ' ' PRO . 5.4 mm -108.02 137.76 19.91 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.584 0.707 . . . . 0.0 111.141 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.595 ' HD2' HG23 ' A' ' 47' ' ' ILE . 53.9 Cg_endo -69.74 123.3 9.97 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.67 2.247 . . . . 0.0 112.397 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.49 -42.88 1.79 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.485 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.495 ' O ' ' N ' ' A' ' 52' ' ' ARG . 60.9 p -101.43 -3.24 29.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.771 0.319 . . . . 0.0 111.105 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 50' ' ' THR . 44.7 m 35.98 30.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.814 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 50' ' ' THR . 17.6 mtp180 -74.78 116.59 15.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -109.76 136.06 49.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -172.74 -149.01 6.52 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.513 HG22 HG21 ' A' ' 38' ' ' VAL . 24.0 pt -130.57 169.89 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.935 0.398 . . . . 0.0 111.1 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.445 ' CZ ' HG21 ' A' ' 32' ' ' ILE . 12.5 p90 -175.03 155.11 1.79 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.691 0.758 . . . . 0.0 110.849 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.528 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.8 Cg_endo -69.74 -179.76 3.13 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.682 2.255 . . . . 0.0 112.384 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.71 HD12 ' CD2' ' A' ' 43' ' ' TYR . 4.0 mm -91.23 -59.3 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 58' ' ' ILE . 40.7 p -34.08 -43.92 0.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.528 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 15.5 m-85 -58.49 -52.09 67.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 61' ' ' VAL . 15.4 m -105.74 121.55 58.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.148 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -93.4 80.53 4.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.3 p -49.76 126.52 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.108 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.679 ' H ' HD12 ' A' ' 64' ' ' ILE . 4.8 mp -71.96 -52.26 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.4 t -60.9 92.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -170.53 -175.81 39.52 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.52 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 115.15 3.95 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.709 2.273 . . . . 0.0 112.329 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 t -71.72 -43.82 65.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.5 m -68.97 83.41 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.457 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.6 m -142.56 155.23 44.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.369 . . . . 0.0 110.893 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -85.58 143.45 28.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.835 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.89 167.64 41.45 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.511 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -139.37 140.45 37.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.368 . . . . 0.0 110.87 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.9 p -75.19 145.41 42.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.853 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.03 -71.98 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.481 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -171.37 171.76 44.15 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.506 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.405 ' HG3' HD12 ' A' ' 64' ' ' ILE . 7.7 pt-20 -135.23 166.95 21.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.849 0.357 . . . . 0.0 110.9 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.2 159.42 42.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.505 HG12 HD11 ' A' ' 64' ' ' ILE . 30.3 mm -110.93 124.04 67.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.43 95.39 1.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.525 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 1.4 mmmm -61.09 -22.67 64.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.525 ' CD1' ' O ' ' A' ' 13' ' ' LYS . 48.1 m-85 -152.61 178.41 9.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -96.9 134.6 40.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -105.94 139.84 39.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -106.77 80.51 1.46 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -47.25 173.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.471 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -134.3 -56.85 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.817 0.342 . . . . 0.0 110.852 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.3 p -99.99 178.37 4.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.154 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -63.7 -54.08 41.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.479 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 12.7 p -47.94 -30.61 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -82.75 136.46 34.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.9 tmm? -114.36 134.86 54.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.6 p -102.57 137.57 40.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -126.86 170.49 12.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 28' ' ' LYS . 54.8 ttt180 -116.57 136.51 52.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.845 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 27' ' ' ARG . 22.8 tttp -37.15 130.3 0.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.43 -42.13 2.49 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.441 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -40.31 144.41 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.377 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -98.29 119.64 37.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.901 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.626 HD12 HG11 ' A' ' 61' ' ' VAL . 28.7 mt -103.89 101.3 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 37.4 m -64.56 92.47 0.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.2 mt -50.89 122.53 7.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.5 mt -107.36 -48.64 3.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -155.67 159.03 39.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.481 ' HG3' ' CD1' ' A' ' 43' ' ' TYR . 66.0 tt0 -105.82 118.82 37.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.454 HG21 HG22 ' A' ' 55' ' ' ILE . 66.2 t -72.62 -63.08 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -120.46 -176.2 3.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -71.79 -21.25 61.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.485 ' C ' HD11 ' A' ' 58' ' ' ILE . 26.3 m120 -127.61 36.05 4.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.807 ' N ' HD11 ' A' ' 58' ' ' ILE . 86.9 m95 -157.06 119.79 3.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.714 ' CD2' HD12 ' A' ' 58' ' ' ILE . 14.3 m-85 -109.03 138.77 44.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.927 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -103.35 139.67 38.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.83 -177.95 37.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.444 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.3 ptt180 -130.57 164.82 24.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.803 0.335 . . . . 0.0 110.838 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.679 HG23 ' HD2' ' A' ' 48' ' ' PRO . 38.9 mm -111.02 138.68 21.25 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.613 0.721 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.679 ' HD2' HG23 ' A' ' 47' ' ' ILE . 54.6 Cg_endo -69.73 -44.84 1.86 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.423 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.65 -24.61 76.17 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.473 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 47' ' ' ILE . 82.4 p -143.43 135.13 26.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.79 0.329 . . . . 0.0 111.132 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 44.8 m -75.71 48.86 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -99.08 128.28 45.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -131.77 162.66 29.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.479 ' CA ' ' O ' ' A' ' 22' ' ' VAL . . . 164.41 -122.78 1.11 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.509 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.454 HG22 HG21 ' A' ' 38' ' ' VAL . 27.3 pt -145.93 165.35 9.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 0.0 111.157 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.468 ' CZ ' HG21 ' A' ' 32' ' ' ILE . 8.7 p90 -170.72 155.97 4.92 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.68 0.752 . . . . 0.0 110.829 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.593 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.8 Cg_endo -69.75 161.08 47.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.646 2.231 . . . . 0.0 112.335 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.807 HD11 ' N ' ' A' ' 42' ' ' TRP . 1.5 mm -79.38 -63.56 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 58' ' ' ILE . 60.9 p -33.97 -36.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.593 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 8.3 m-85 -61.78 -53.56 54.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.626 HG11 HD12 ' A' ' 32' ' ' ILE . 34.6 m -101.56 143.34 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.136 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.26 105.64 14.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.9 p -62.28 139.85 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.505 HD11 HG12 ' A' ' 11' ' ' ILE . 12.1 mt -96.99 -70.81 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.174 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.3 t -81.9 148.03 28.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 142.09 -169.8 25.2 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -7.41 20.98 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.656 2.237 . . . . 0.0 112.357 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.4 t -40.2 137.26 1.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 41.4 t -138.19 153.24 49.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.461 -179.965 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.2 m -159.81 159.3 32.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 110.84 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.4 t -96.75 166.01 11.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.69 -56.0 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.472 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.4 p -174.44 122.44 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 110.845 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.2 m -69.57 174.35 5.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.37 -81.64 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.448 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.02 177.44 29.85 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.46 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -136.84 144.96 43.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.358 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -150.66 169.19 22.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.947 HG13 HD11 ' A' ' 64' ' ' ILE . 2.8 mt -138.78 138.94 41.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.46 101.47 4.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.542 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -68.8 -11.07 60.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.542 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 98.3 m-85 -162.89 156.72 20.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -68.83 136.52 52.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -116.03 137.47 52.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -115.27 91.88 3.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -42.46 111.93 0.4 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -60.85 -41.56 96.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.898 0.38 . . . . 0.0 110.898 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.6 HG23 HG12 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -131.13 168.12 17.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 -179.882 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.404 ' N ' ' OG1' ' A' ' 20' ' ' THR . 16.8 tt0 -56.33 -16.76 6.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.648 ' O ' HG13 ' A' ' 22' ' ' VAL . 6.6 p -88.4 41.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -153.76 154.59 34.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.2 tmm? -114.32 127.1 55.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 59.7 p -92.1 147.47 22.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -146.64 151.54 37.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.3 mtp85 -95.56 149.76 21.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -58.63 133.16 55.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.55 -28.24 16.39 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.498 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -65.14 154.14 38.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.852 0.358 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.3 ttm-85 -108.88 120.73 43.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 36.6 mt -89.92 123.41 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 55.9 m -78.2 81.14 4.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.143 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.9 mt -39.46 136.53 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.924 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.6 mt -122.12 -36.36 2.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.414 ' HB2' ' NH1' ' A' ' 36' ' ' ARG . 3.5 ptm85 -171.43 177.17 3.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -118.3 115.25 24.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.421 HG21 HG22 ' A' ' 55' ' ' ILE . 43.9 t -74.43 -70.74 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -111.43 -178.31 3.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -71.32 -18.31 62.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.565 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 90.0 m-20 -130.8 37.01 3.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.656 ' N ' HD11 ' A' ' 58' ' ' ILE . 80.2 m95 -157.97 115.53 2.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.584 ' CD2' HD12 ' A' ' 58' ' ' ILE . 15.7 m-85 -103.45 138.54 40.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -93.14 143.16 26.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -170.74 164.33 37.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.473 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -122.43 168.46 12.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 0.0 110.86 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.662 HG23 ' HD2' ' A' ' 48' ' ' PRO . 39.0 mm -108.81 138.52 20.34 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.643 0.735 . . . . 0.0 111.104 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.662 ' HD2' HG23 ' A' ' 47' ' ' ILE . 53.3 Cg_endo -69.75 127.57 14.79 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.685 2.257 . . . . 0.0 112.327 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.38 -50.87 1.27 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.502 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 48.7 p -86.64 -26.03 24.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.777 0.322 . . . . 0.0 111.156 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 t 58.4 37.38 25.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 mtp-105 -102.29 109.64 21.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -117.82 161.5 19.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -176.75 -107.89 0.22 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.465 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.492 HD11 ' O ' ' A' ' 22' ' ' VAL . 11.8 pt -155.0 161.22 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.358 . . . . 0.0 111.135 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.43 ' CE1' ' O ' ' A' ' 43' ' ' TYR . 6.0 p90 -173.64 155.53 2.58 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.651 0.738 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.592 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 54.5 Cg_endo -69.75 167.03 25.6 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.655 2.237 . . . . 0.0 112.375 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.656 HD11 ' N ' ' A' ' 42' ' ' TRP . 2.1 mm -80.45 -61.65 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 58' ' ' ILE . 77.2 p -33.85 -45.33 0.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.592 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 17.2 m-85 -57.76 -54.5 46.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.949 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 61' ' ' VAL . 5.6 m -94.82 126.21 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.128 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -94.38 109.67 21.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.489 HG12 ' H ' ' A' ' 66' ' ' GLY . 42.0 t -73.85 113.26 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.947 HD11 HG13 ' A' ' 11' ' ' ILE . 5.3 mp -66.54 -54.26 27.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.097 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.6 t -42.92 -48.08 5.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.489 ' H ' HG12 ' A' ' 63' ' ' VAL . . . 54.59 168.1 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.532 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 136.95 34.27 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 m -156.84 148.58 22.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.5 p -169.57 127.29 0.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.496 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.8 p -148.57 133.96 18.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.342 . . . . 0.0 110.903 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.2 m -155.62 149.52 25.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.23 65.57 0.54 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.45 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.3 p -48.93 117.67 2.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -111.94 113.12 25.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.15 -95.31 0.34 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.481 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 166.72 177.97 38.93 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -127.03 130.72 50.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.855 0.359 . . . . 0.0 110.897 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -118.82 167.38 11.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 40.5 mm -134.91 120.47 30.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.22 105.78 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.407 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 22.7 mmmt -74.81 -21.57 59.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' A' ' 13' ' ' LYS . 69.0 m-85 -150.65 152.51 34.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -68.74 113.46 6.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . 79.4 t80 -83.68 136.49 34.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -109.27 76.41 1.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -44.56 151.4 0.7 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.497 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -113.32 -57.82 2.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.871 0.367 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.6 p -80.2 158.57 26.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -53.58 -46.6 70.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.439 HG13 ' N ' ' A' ' 23' ' ' GLU . 5.3 p -56.17 -44.45 79.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.439 ' N ' HG13 ' A' ' 22' ' ' VAL . 23.2 mt-10 -54.19 146.44 15.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.4 tmm? -122.98 124.82 44.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 76.2 p -86.94 134.82 33.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.814 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.541 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 6.7 p90 -131.09 152.78 50.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.841 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -97.83 157.75 15.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -54.75 138.57 41.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.07 -38.96 3.14 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -47.12 138.43 6.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.896 0.379 . . . . 0.0 110.893 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -93.36 135.94 34.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.609 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 42.4 mt -112.58 103.82 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.168 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.3 m -63.86 87.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.9 mt -44.43 129.98 6.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.966 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 47.9 mt -115.54 -42.73 3.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -168.08 161.15 12.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.546 ' HG3' ' CD1' ' A' ' 43' ' ' TYR . 9.6 tt0 -102.17 111.1 23.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.538 HG23 ' HB2' ' A' ' 44' ' ' GLU . 46.1 t -70.15 -63.36 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.446 ' OD1' HG12 ' A' ' 38' ' ' VAL . 3.2 m-20 -119.22 176.96 5.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -69.13 -22.08 63.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.57 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 20.7 m120 -126.13 31.79 5.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.758 ' N ' HD11 ' A' ' 58' ' ' ILE . 67.7 m95 -155.62 117.11 3.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.958 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.623 ' CD2' HD12 ' A' ' 58' ' ' ILE . 23.8 m-85 -103.46 146.85 27.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.538 ' HB2' HG23 ' A' ' 38' ' ' VAL . 4.9 tp10 -102.53 146.12 28.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.867 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.44 169.09 40.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.469 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -125.96 166.31 17.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.744 0.307 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.666 HG23 ' HD2' ' A' ' 48' ' ' PRO . 21.0 mm -97.42 138.72 21.16 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.617 0.722 . . . . 0.0 111.137 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.666 ' HD2' HG23 ' A' ' 47' ' ' ILE . 53.4 Cg_endo -69.85 146.11 58.66 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.66 2.24 . . . . 0.0 112.337 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.7 -44.2 2.25 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.473 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.449 ' HB ' ' CD ' ' A' ' 52' ' ' ARG . 7.8 p -88.86 -174.95 4.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.757 0.313 . . . . 0.0 111.126 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 73.5 m -131.35 39.29 3.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.449 ' CD ' ' HB ' ' A' ' 50' ' ' THR . 0.5 OUTLIER -109.33 115.18 29.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.84 -179.902 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -121.9 151.32 40.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 174.97 173.24 40.62 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.48 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.486 HG22 HG21 ' A' ' 38' ' ' VAL . 29.8 pt -84.23 168.48 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.887 0.375 . . . . 0.0 111.14 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.609 ' CZ ' HG21 ' A' ' 32' ' ' ILE . 7.6 p90 -171.23 155.44 4.29 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.671 0.748 . . . . 0.0 110.857 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.583 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.3 Cg_endo -69.82 166.98 25.86 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.689 2.259 . . . . 0.0 112.329 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.758 HD11 ' N ' ' A' ' 42' ' ' TRP . 2.1 mm -80.5 -60.83 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 58' ' ' ILE . 29.2 p -34.3 -47.57 0.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.141 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.583 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 18.1 m-85 -55.31 -49.11 73.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 61' ' ' VAL . 14.2 m -102.41 121.34 53.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.161 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -89.99 109.13 20.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 91.0 t -69.55 145.61 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.051 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.1 mt -98.91 -56.59 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.066 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.2 t -68.81 95.92 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -170.9 -178.15 41.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.481 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -22.48 31.93 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.687 2.258 . . . . 0.0 112.353 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.7 t -38.81 -62.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.7 t -59.11 -59.47 5.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.829 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.523 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -78.53 93.4 4.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 0.0 110.836 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.2 p -101.57 122.33 43.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.78 162.64 3.6 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.525 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.7 p -86.82 121.77 29.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.893 0.378 . . . . 0.0 110.842 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.7 m -120.46 101.24 7.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.846 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.13 -52.92 0.98 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 149.84 -145.76 14.23 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.44 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.422 ' N ' HD12 ' A' ' 34' ' ' LEU . 2.0 tp10 -147.14 150.68 35.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.845 0.355 . . . . 0.0 110.891 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -150.88 161.31 42.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.445 HG12 HD11 ' A' ' 64' ' ' ILE . 49.9 mm -123.02 130.22 74.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.084 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.27 93.37 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.1 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.3 mtmm -55.42 -24.84 32.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -147.4 175.05 11.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -86.54 143.03 27.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -116.61 151.93 35.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -116.76 65.11 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.09 86.71 0.13 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.495 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -70.63 -53.46 15.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.901 0.381 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.8 p -67.14 142.45 57.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.195 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.433 ' HG3' ' N ' ' A' ' 22' ' ' VAL . 21.5 pt20 -52.04 -44.83 64.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.433 ' N ' ' HG3' ' A' ' 21' ' ' GLN . 12.8 m -54.28 -28.12 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.407 ' HG3' HG23 ' A' ' 22' ' ' VAL . 90.9 mt-10 -90.67 140.49 29.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 47.4 ttp -108.11 116.6 32.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 84.3 p -83.76 130.69 34.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -131.09 151.51 51.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -88.64 134.14 33.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.5 ttpp -50.89 121.05 5.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.57 -40.18 2.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.478 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -66.52 136.82 56.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.859 0.361 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.419 ' HA ' HD13 ' A' ' 11' ' ' ILE . 13.7 ptp180 -71.09 170.93 11.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.431 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 46.2 mt -139.29 109.02 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.1 m -64.02 93.33 0.09 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.422 HD12 ' N ' ' A' ' 9' ' ' GLU . 33.6 mt -54.18 134.2 44.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 58.0 mt -117.53 -42.12 2.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -171.57 157.35 4.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.423 ' CD ' ' CE1' ' A' ' 43' ' ' TYR . 57.2 tt0 -99.79 114.55 27.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.2 t -72.49 -67.95 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -110.84 -175.77 2.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.0 mp0 -76.74 -14.61 59.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.519 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 44.8 m-80 -134.13 33.32 3.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.631 ' N ' HD11 ' A' ' 58' ' ' ILE . 71.5 m95 -155.24 115.35 3.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.565 ' CD2' HD12 ' A' ' 58' ' ' ILE . 15.1 m-85 -100.18 155.79 17.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -117.23 141.59 48.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -173.28 178.19 45.35 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -123.96 168.46 12.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.319 . . . . 0.0 110.874 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.665 HG23 ' HD2' ' A' ' 48' ' ' PRO . 17.7 mm -114.14 138.31 22.86 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.638 0.732 . . . . 0.0 111.141 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.665 ' HD2' HG23 ' A' ' 47' ' ' ILE . 54.2 Cg_endo -69.72 -44.57 2.03 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.664 2.243 . . . . 0.0 112.371 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.73 -24.44 75.47 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.521 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.2 p -144.86 134.2 23.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.805 0.336 . . . . 0.0 111.143 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 t -75.95 48.75 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.5 mtt180 -95.27 125.94 40.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -118.37 152.61 35.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 164.93 -153.51 23.75 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.504 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 38.4 pt -123.15 169.92 13.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.895 0.379 . . . . 0.0 111.115 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.431 ' CZ ' HG21 ' A' ' 32' ' ' ILE . 11.5 p90 -171.9 155.27 3.73 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.609 0.719 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.525 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.5 Cg_endo -69.78 168.62 21.05 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.352 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.631 HD11 ' N ' ' A' ' 42' ' ' TRP . 1.8 mm -82.97 -58.71 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.074 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 58' ' ' ILE . 63.4 p -35.07 -38.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.525 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 11.8 m-85 -66.12 -49.43 67.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 58' ' ' ILE . 7.3 m -100.05 128.48 51.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.437 ' OD1' ' C ' ' A' ' 62' ' ' ASP . 8.4 t0 -97.75 114.85 26.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 71.2 t -60.03 140.27 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.445 HD11 HG12 ' A' ' 11' ' ' ILE . 59.0 mt -96.56 -58.8 3.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.9 t -89.12 154.27 20.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 125.48 -158.52 19.86 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -1.57 8.7 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.64 2.226 . . . . 0.0 112.38 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.7 m -80.88 140.19 35.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 80.7 p -105.1 126.91 52.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.806 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.51 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -108.12 143.16 37.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.856 0.36 . . . . 0.0 110.885 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 4' ' ' GLY . 3.4 t -155.67 146.1 21.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.827 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 36.62 42.48 0.68 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.476 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 m -125.71 102.36 7.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.859 0.361 . . . . 0.0 110.837 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.1 t -159.61 117.27 2.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.88 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.04 -87.17 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.478 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -127.09 171.09 18.72 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.444 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -135.46 135.42 40.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 0.0 110.906 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -141.16 140.3 34.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.506 HD13 ' HA ' ' A' ' 31' ' ' ARG . 28.4 mm -113.24 133.12 60.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.083 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.27 111.18 3.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -84.29 -31.04 25.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -132.85 152.16 51.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -61.08 136.1 57.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.516 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . 46.0 t80 -117.87 159.42 23.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -161.27 121.43 2.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -128.49 -24.26 1.15 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.453 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 44.44 25.37 0.12 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.895 0.379 . . . . 0.0 110.838 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 21' ' ' GLN . 5.1 p -132.93 129.67 38.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 20' ' ' THR . 68.4 mt-30 -34.71 -55.24 0.56 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.922 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.513 HG23 ' N ' ' A' ' 23' ' ' GLU . 33.2 m -51.76 -45.18 37.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.513 ' N ' HG23 ' A' ' 22' ' ' VAL . 37.8 mt-10 -77.3 160.12 29.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.431 ' HE3' HD11 ' A' ' 47' ' ' ILE . 41.8 ttp -130.57 81.87 2.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.9 m -51.3 123.04 8.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.894 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.516 ' CE1' ' HB2' ' A' ' 16' ' ' PHE . 5.7 p90 -135.92 160.5 38.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.865 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.8 ttp180 -109.08 147.23 32.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.853 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.1 ttpp -53.32 121.25 7.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.51 -51.36 0.82 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.536 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -59.31 135.91 57.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.806 0.336 . . . . 0.0 110.886 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.506 ' HA ' HD13 ' A' ' 11' ' ' ILE . 11.4 ptp180 -74.19 174.99 7.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.508 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 69.6 mt -146.75 111.67 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.8 m -68.84 82.49 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.4 mt -44.84 111.1 0.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.0 mt -91.33 -42.69 10.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -170.03 -177.17 2.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -120.44 117.31 27.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.9 t -78.21 -64.54 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -112.17 -176.84 3.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -77.83 -17.28 57.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.511 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 16.9 m-80 -130.15 31.27 4.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.547 ' N ' HD11 ' A' ' 58' ' ' ILE . 70.2 m95 -154.52 117.2 4.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.969 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.561 ' CD2' HD12 ' A' ' 58' ' ' ILE . 14.3 m-85 -100.74 152.34 20.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.885 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -110.92 144.02 40.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -174.63 169.63 42.62 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.406 ' CB ' ' HB3' ' A' ' 53' ' ' GLN . 14.8 ptp180 -124.79 171.44 10.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.805 0.336 . . . . 0.0 110.889 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.65 HG23 ' HD2' ' A' ' 48' ' ' PRO . 25.5 mm -99.54 138.39 20.45 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.587 0.708 . . . . 0.0 111.133 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.65 ' HD2' HG23 ' A' ' 47' ' ' ILE . 53.4 Cg_endo -69.77 103.67 1.2 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.684 2.256 . . . . 0.0 112.336 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 122.98 -40.26 2.05 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.492 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.5 p -117.23 141.56 48.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.813 0.339 . . . . 0.0 111.137 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.8 m -79.33 48.58 0.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -107.48 82.36 1.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.406 ' HB3' ' CB ' ' A' ' 46' ' ' ARG . 10.6 pt20 -111.99 147.14 36.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -164.99 -148.54 5.51 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.459 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 30.7 pt -115.07 164.14 11.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.856 0.36 . . . . 0.0 111.117 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.508 ' CZ ' HG21 ' A' ' 32' ' ' ILE . 7.2 p90 -175.01 155.27 1.82 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.663 0.744 . . . . 0.0 110.868 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.462 ' HD3' ' CZ3' ' A' ' 42' ' ' TRP . 54.1 Cg_endo -69.7 174.47 9.4 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 2.243 . . . . 0.0 112.373 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.561 HD12 ' CD2' ' A' ' 43' ' ' TYR . 1.8 mm -86.52 -62.21 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.148 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 58' ' ' ILE . 73.3 p -34.16 -39.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -63.69 -49.25 73.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 61' ' ' VAL . 29.7 m -101.45 124.14 55.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -86.9 109.88 19.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 48.8 t -68.64 126.75 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.0 mt -83.67 -48.08 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.143 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 26.3 t -92.98 103.91 16.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -150.34 -96.88 0.16 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 103.09 1.1 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.709 2.273 . . . . 0.0 112.34 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.5 m -154.12 135.76 14.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.9 m -64.25 121.94 15.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.481 179.999 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.8 m -117.51 175.31 5.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.891 0.376 . . . . 0.0 110.837 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.8 p -63.79 117.04 6.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.99 -90.01 0.3 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.519 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 6' ' ' SER . 84.4 p 43.18 42.38 3.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.849 0.357 . . . . 0.0 110.811 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 5' ' ' SER . 1.4 t 36.05 39.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.97 -47.71 64.23 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.8 155.32 16.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -136.95 161.92 34.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.359 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -166.36 136.8 3.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.078 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.3 mm -110.6 128.78 66.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.23 99.49 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.3 mmmt -63.73 -29.71 70.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -135.67 178.33 7.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -92.22 137.61 32.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -117.25 138.02 52.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -128.87 82.07 2.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.01 131.81 23.35 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.506 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -73.97 -52.42 12.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.864 0.364 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.6 p -77.29 151.67 34.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -58.04 -43.23 86.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -49.84 -30.71 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -79.88 127.03 31.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.0 tmm? -95.36 127.33 41.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.8 m -98.17 137.96 36.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -130.19 168.08 17.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 ttp85 -105.86 144.96 31.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -58.62 95.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.5 41.05 0.64 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -128.54 148.82 50.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.808 0.337 . . . . 0.0 110.914 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -79.53 140.29 37.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.5 mt -125.93 100.35 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 19.4 m -67.44 91.64 0.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.2 mt -51.87 116.56 2.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.537 HD11 ' HD3' ' A' ' 46' ' ' ARG . 55.5 mt -99.2 -37.89 9.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -171.49 167.96 6.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -110.65 109.58 19.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.647 HG21 HG22 ' A' ' 55' ' ' ILE . 91.3 t -68.53 -64.45 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.074 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -115.1 167.82 10.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.849 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -62.77 -23.83 67.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.598 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 16.8 m120 -121.98 30.85 6.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.598 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 54.7 m95 -154.11 117.71 4.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.712 ' CD2' HD12 ' A' ' 58' ' ' ILE . 23.5 m-85 -99.26 149.45 23.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -106.52 151.57 24.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.46 168.75 32.71 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.478 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.537 ' HD3' HD11 ' A' ' 35' ' ' LEU . 14.6 ptt180 -123.26 -179.97 4.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.772 0.32 . . . . 0.0 110.852 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.623 HG23 ' HD2' ' A' ' 48' ' ' PRO . 17.9 mm -107.95 137.43 19.8 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.65 0.738 . . . . 0.0 111.125 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.623 ' HD2' HG23 ' A' ' 47' ' ' ILE . 54.1 Cg_endo -69.72 109.19 2.24 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.708 2.272 . . . . 0.0 112.343 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 122.47 -43.27 1.49 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.524 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.7 p -113.23 176.47 5.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 111.138 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.7 t -107.56 48.69 0.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 -99.7 87.17 3.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -113.13 161.91 16.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 163.37 -138.74 5.48 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.507 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.647 HG22 HG21 ' A' ' 38' ' ' VAL . 21.5 pt -127.18 167.58 21.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.834 0.35 . . . . 0.0 111.152 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -175.01 155.12 1.8 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.626 0.727 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.539 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.9 Cg_endo -69.71 176.38 6.81 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.694 2.262 . . . . 0.0 112.309 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.712 HD12 ' CD2' ' A' ' 43' ' ' TYR . 4.5 mm -89.3 -60.4 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 58' ' ' ILE . 24.2 p -34.0 -47.81 0.28 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.539 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 21.1 m-85 -54.44 -54.33 42.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.508 ' O ' HG23 ' A' ' 61' ' ' VAL . 27.3 m -99.99 122.21 51.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.168 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.61 106.16 16.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.0 t -66.85 113.64 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.08 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.629 HD12 ' H ' ' A' ' 64' ' ' ILE . 5.3 mp -69.09 -58.99 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.4 m -96.24 128.24 42.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.838 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.53 146.78 48.35 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.49 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 102.41 1.02 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.679 2.253 . . . . 0.0 112.31 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.9 m -77.7 116.18 18.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 62.9 p -124.79 154.47 40.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.4 p -166.08 140.44 4.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.886 0.374 . . . . 0.0 110.852 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.8 p -132.94 144.25 50.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.849 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.62 90.12 1.33 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.2 p -173.48 153.83 2.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.875 0.369 . . . . 0.0 110.867 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.425 ' HA ' ' CG2' ' A' ' 33' ' ' THR . 60.3 p -57.46 128.24 36.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.6 -56.46 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.55 -160.28 22.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -162.96 142.18 8.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.879 0.371 . . . . 0.0 110.915 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -151.29 145.83 25.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.103 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.1 mm -116.61 131.26 69.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.67 90.4 0.4 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -58.11 -34.41 70.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -131.7 165.63 23.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -83.88 124.78 31.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.561 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . 57.4 t80 -103.2 129.52 50.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.515 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 0.5 OUTLIER -114.22 96.67 5.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.892 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.46 129.65 9.19 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -83.51 -47.28 11.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.889 0.376 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.7 p -87.48 170.11 11.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.165 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.453 ' HG3' ' N ' ' A' ' 22' ' ' VAL . 27.4 pt20 -67.37 -46.9 71.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.453 ' N ' ' HG3' ' A' ' 21' ' ' GLN . 7.3 p -50.26 -34.88 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -79.39 130.87 35.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.1 tmm? -104.82 133.07 50.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 90.5 p -100.52 132.8 45.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.804 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.561 ' CE1' ' HB2' ' A' ' 16' ' ' PHE . 3.0 p90 -128.23 147.86 50.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -84.48 144.31 28.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -56.13 98.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.15 36.67 1.19 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.478 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -114.04 153.09 30.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.813 0.34 . . . . 0.0 110.925 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.467 ' CZ ' ' HB2' ' A' ' 31' ' ' ARG . 15.1 ttm105 -91.48 115.71 28.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.6 mt -109.58 110.01 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.425 ' CG2' ' HA ' ' A' ' 6' ' ' SER . 59.2 m -64.66 105.03 0.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.475 HD11 HG23 ' A' ' 63' ' ' VAL . 37.0 mt -61.95 101.29 0.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.944 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.645 HD12 ' HA2' ' A' ' 45' ' ' GLY . 8.2 mt -86.09 -61.21 1.8 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.01 -175.03 4.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.634 ' CD ' ' CE1' ' A' ' 43' ' ' TYR . 62.1 tt0 -129.28 97.7 4.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.499 HG23 ' HB2' ' A' ' 44' ' ' GLU . 96.0 t -55.86 -61.78 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.6 157.29 26.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -48.8 -24.96 1.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.729 ' C ' HD11 ' A' ' 58' ' ' ILE . 14.3 m-20 -123.64 35.31 4.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.891 ' N ' HD11 ' A' ' 58' ' ' ILE . 63.2 m95 -154.18 117.95 4.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.634 ' CE1' ' CD ' ' A' ' 37' ' ' GLN . 30.2 m-85 -107.27 128.79 54.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.499 ' HB2' HG23 ' A' ' 38' ' ' VAL . 23.6 tt0 -89.76 128.9 36.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.645 ' HA2' HD12 ' A' ' 35' ' ' LEU . . . -157.99 171.18 34.96 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -125.83 179.22 5.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.777 0.323 . . . . 0.0 110.838 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.54 HG23 ' HD2' ' A' ' 48' ' ' PRO . 7.2 mm -119.04 137.06 24.7 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.642 0.734 . . . . 0.0 111.099 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.54 ' HD2' HG23 ' A' ' 47' ' ' ILE . 53.9 Cg_endo -69.78 135.98 31.78 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.654 2.236 . . . . 0.0 112.383 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.94 -46.47 2.9 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.474 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 76.9 p -100.97 168.17 9.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.756 0.312 . . . . 0.0 111.154 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.9 m -103.5 37.23 2.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 35.8 mtt85 -94.04 108.33 20.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.5 tm0? -139.18 143.76 38.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 176.65 -152.71 12.79 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.505 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 32.8 pt -108.59 167.89 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 111.119 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.579 ' CE1' ' O ' ' A' ' 43' ' ' TYR . 5.6 p90 -174.94 156.13 1.98 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.609 0.718 . . . . 0.0 110.928 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.586 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.9 Cg_endo -69.77 155.93 64.65 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.622 2.215 . . . . 0.0 112.358 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.891 HD11 ' N ' ' A' ' 42' ' ' TRP . 2.6 mm -69.26 -62.06 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 58' ' ' ILE . 25.0 p -34.06 -53.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.586 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 9.6 m-85 -47.03 -56.2 6.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 61' ' ' VAL . 34.4 m -98.46 120.72 48.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.1 105.9 18.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.487 ' O ' HG13 ' A' ' 63' ' ' VAL . 8.0 p -72.87 119.65 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.2 mp -79.2 -44.06 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.169 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.2 t -88.79 103.97 16.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -166.64 -158.59 11.33 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 155.86 64.71 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.68 2.253 . . . . 0.0 112.327 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.7 t -66.41 -55.14 17.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.826 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.6 t 71.14 35.53 1.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.528 179.978 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -112.33 146.63 37.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.833 0.349 . . . . 0.0 110.874 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -157.52 145.5 18.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.75 176.09 38.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.6 p -90.78 171.8 9.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.884 0.373 . . . . 0.0 110.907 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 t -155.35 162.23 40.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.69 85.13 0.16 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.505 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -136.26 -170.54 12.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.51 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -136.49 159.74 40.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.887 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -163.54 145.65 9.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.3 mm -113.63 137.37 47.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.05 105.45 5.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -78.5 -22.98 46.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -141.99 147.05 36.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -66.02 135.94 55.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.497 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . 18.3 t80 -120.19 161.32 21.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -160.71 108.79 1.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.476 ' HA3' ' CB ' ' A' ' 23' ' ' GLU . . . -104.09 -33.87 3.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.493 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 54.93 28.22 10.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.929 0.395 . . . . 0.0 110.863 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 23' ' ' GLU . 1.1 p -137.18 133.91 35.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.2 pt20 -40.07 -40.25 1.03 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.59 HG13 ' HG3' ' A' ' 23' ' ' GLU . 14.7 p -71.18 -36.31 61.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.156 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.59 ' HG3' HG13 ' A' ' 22' ' ' VAL . 42.7 mt-10 -91.57 153.26 19.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 11.5 tmm? -126.96 124.74 40.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.2 m -87.32 126.77 35.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.497 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 29.3 p90 -129.15 154.6 46.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.3 ttt-85 -95.43 143.8 26.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -58.84 130.0 44.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 105.59 -41.29 2.2 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.439 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.44 138.98 58.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.816 0.341 . . . . 0.0 110.922 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -74.87 167.33 22.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 17.2 mt -137.76 108.17 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.458 HG21 ' NH2' ' A' ' 46' ' ' ARG . 23.3 m -64.46 94.64 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 42.2 mt -55.37 131.78 46.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.1 mt -113.36 -43.68 3.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -168.74 154.98 6.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -93.31 106.06 18.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.736 HG21 HG22 ' A' ' 55' ' ' ILE . 97.0 t -62.46 -59.43 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.143 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -128.13 -177.2 4.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -73.94 -13.32 60.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.496 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 30.9 m-80 -134.35 33.01 3.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.614 ' N ' HD11 ' A' ' 58' ' ' ILE . 88.5 m95 -158.52 115.03 2.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.572 ' CD2' HD12 ' A' ' 58' ' ' ILE . 14.5 m-85 -100.46 142.62 31.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.697 ' HB2' HG23 ' A' ' 38' ' ' VAL . 9.8 tt0 -103.91 145.76 29.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.67 171.89 44.15 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.512 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.458 ' NH2' HG21 ' A' ' 33' ' ' THR . 22.7 ptt85 -114.72 178.4 4.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.872 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.688 HG23 ' HD2' ' A' ' 48' ' ' PRO . 39.1 mm -124.34 138.76 31.51 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.594 0.711 . . . . 0.0 111.161 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.688 ' HD2' HG23 ' A' ' 47' ' ' ILE . 54.2 Cg_endo -69.73 -44.85 1.86 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.657 2.238 . . . . 0.0 112.377 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.62 -25.69 73.89 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 47' ' ' ILE . 52.4 p -141.82 133.03 26.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.767 0.318 . . . . 0.0 111.166 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.3 m -75.57 49.06 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.888 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.0 mtt85 -90.2 166.32 13.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.846 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -153.94 142.58 20.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.952 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 169.06 -162.43 36.16 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.509 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.736 HG22 HG21 ' A' ' 38' ' ' VAL . 43.7 pt -116.03 165.46 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 111.148 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -164.54 155.07 12.83 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.623 0.725 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.588 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 54.2 Cg_endo -69.68 165.25 31.49 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.727 2.285 . . . . 0.0 112.332 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.614 HD11 ' N ' ' A' ' 42' ' ' TRP . 1.8 mm -80.49 -63.15 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 58' ' ' ILE . 24.9 p -33.95 -42.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.136 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.588 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 9.9 m-85 -57.11 -48.74 77.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 58' ' ' ILE . 11.7 m -99.84 143.38 13.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.159 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 62' ' ' ASP . 0.1 OUTLIER -104.57 112.42 25.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 88.7 t -74.04 129.24 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.8 mt -95.17 -51.07 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.7 m -103.95 88.19 2.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.818 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -154.47 -157.95 8.43 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.497 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 129.7 18.03 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.684 2.256 . . . . 0.0 112.344 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.6 p -167.19 139.03 3.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 54.8 p -135.62 113.07 10.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.49 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.5 m 38.12 42.32 0.47 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.874 0.369 . . . . 0.0 110.849 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.6 m -65.09 112.02 3.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.63 171.71 54.89 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.457 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -171.36 147.13 2.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.936 0.398 . . . . 0.0 110.859 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -110.17 152.49 25.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.29 -53.56 0.12 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -178.81 -155.69 15.28 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -150.45 143.2 24.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.884 0.374 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.623 ' HB2' HD11 ' A' ' 34' ' ' LEU . . . -138.56 174.44 10.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.505 HD13 ' HA ' ' A' ' 31' ' ' ARG . 20.5 mm -143.86 124.08 8.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.6 141.43 48.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.457 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 8.7 mtpt -119.46 -5.87 10.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.457 ' CD1' ' O ' ' A' ' 13' ' ' LYS . 61.3 m-85 -154.38 146.32 23.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -55.61 140.1 42.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.739 ' CD2' ' CE2' ' A' ' 26' ' ' PHE . 41.0 t80 -144.1 122.38 12.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 18' ' ' GLY . 52.1 t30 -110.9 42.06 1.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.849 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 17' ' ' ASN . . . 34.4 89.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.44 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -41.93 -49.67 4.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.896 0.379 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.9 p -123.02 161.43 24.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -45.89 -53.35 9.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.946 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.7 t -51.84 -36.14 18.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -74.17 135.28 42.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.472 ' HB2' ' N ' ' A' ' 54' ' ' GLY . 10.0 tmm? -90.4 127.3 36.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 87.1 p -84.52 141.74 30.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.739 ' CE2' ' CD2' ' A' ' 16' ' ' PHE . 18.8 p90 -143.2 166.18 25.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -120.17 135.82 54.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.433 ' HD3' ' C ' ' A' ' 13' ' ' LYS . 14.8 tptm -45.3 135.68 5.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.88 -21.97 38.66 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.457 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -83.66 132.67 34.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.505 ' HA ' HD13 ' A' ' 11' ' ' ILE . 15.4 ptt-85 -76.07 166.35 23.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 34' ' ' LEU . 15.7 mt -135.69 109.05 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 40.7 m -61.21 76.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.623 HD11 ' HB2' ' A' ' 10' ' ' ALA . 97.4 mt -46.14 113.65 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.6 mt -95.02 -41.45 9.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -168.79 158.57 9.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -95.76 102.0 13.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.824 HG23 ' HB2' ' A' ' 44' ' ' GLU . 73.3 t -57.6 -62.23 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.176 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -120.96 176.96 5.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -67.42 -20.62 65.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.543 ' C ' HD11 ' A' ' 58' ' ' ILE . 30.9 m-80 -129.11 31.95 4.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.64 ' N ' HD11 ' A' ' 58' ' ' ILE . 74.7 m95 -153.58 115.65 4.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.542 ' CD2' HD12 ' A' ' 58' ' ' ILE . 17.3 m-85 -100.65 137.83 38.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.824 ' HB2' HG23 ' A' ' 38' ' ' VAL . 7.9 tt0 -98.22 151.27 20.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 176.03 176.73 44.48 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.449 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.0 ptt180 -131.88 165.63 23.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.33 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.587 HG23 ' HD2' ' A' ' 48' ' ' PRO . 40.6 mm -107.94 137.21 19.74 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.568 0.699 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.587 ' HD2' HG23 ' A' ' 47' ' ' ILE . 53.3 Cg_endo -69.75 136.54 33.28 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.651 2.234 . . . . 0.0 112.317 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.87 -35.03 3.73 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.472 ' HB ' ' CZ ' ' A' ' 52' ' ' ARG . 60.9 p -106.83 -175.83 2.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.756 0.312 . . . . 0.0 111.141 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.2 m -118.5 9.49 12.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.472 ' CZ ' ' HB ' ' A' ' 50' ' ' THR . 0.0 OUTLIER -66.76 106.59 1.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.838 -179.896 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.413 ' HG2' ' N ' ' A' ' 54' ' ' GLY . 60.9 tt0 -138.19 157.32 46.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.472 ' N ' ' HB2' ' A' ' 24' ' ' MET . . . 156.09 -132.46 3.35 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.49 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.735 HG22 HG21 ' A' ' 38' ' ' VAL . 28.9 pt -123.53 169.8 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 0.0 111.087 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.436 ' CZ ' ' O ' ' A' ' 43' ' ' TYR . 27.7 p90 -173.81 154.43 2.31 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.7 0.762 . . . . 0.0 110.858 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.588 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 54.0 Cg_endo -69.77 167.01 25.69 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.718 2.278 . . . . 0.0 112.296 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.64 HD11 ' N ' ' A' ' 42' ' ' TRP . 2.4 mm -81.32 -63.08 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 58' ' ' ILE . 45.1 p -33.36 -52.53 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.181 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.588 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 21.6 m-85 -47.65 -49.77 26.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' A' ' 58' ' ' ILE . 16.8 m -95.47 164.75 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.135 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -125.48 110.3 13.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.9 t -69.34 132.49 33.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.5 mt -83.71 -51.72 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.5 t -93.38 125.27 37.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 142.35 174.09 14.68 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.449 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -3.59 12.33 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.654 2.236 . . . . 0.0 112.345 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 71.2 p -39.14 122.53 1.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.1 t -111.57 111.31 22.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.962 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -102.85 85.82 2.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.857 0.36 . . . . 0.0 110.873 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -91.81 131.87 36.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.63 61.09 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 m -133.97 158.0 44.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.845 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m 56.38 41.39 29.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.829 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.98 -79.07 0.76 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -168.54 179.22 41.64 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.462 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -136.63 151.54 49.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -156.93 164.22 38.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.052 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.0 mt -132.9 137.05 54.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.08 94.67 0.9 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -54.21 -25.0 20.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -144.75 177.68 8.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -91.83 122.23 34.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . 82.4 t80 -101.65 112.43 25.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -93.52 83.97 4.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.75 151.27 47.26 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.13 -31.44 6.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.886 0.374 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.2 p -99.46 162.09 13.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -74.5 -29.51 61.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.6 p -63.01 -31.19 51.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -84.45 148.35 26.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.4 ttp -106.39 119.63 39.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 89.7 p -82.58 140.75 33.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 14.3 p90 -141.41 154.12 45.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -103.23 141.63 35.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.842 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.3 tttp -48.56 136.87 12.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.96 -36.39 3.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -58.83 146.2 38.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 -100.54 126.28 46.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.449 ' CD1' HG12 ' A' ' 61' ' ' VAL . 15.7 mt -96.13 118.12 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 34' ' ' LEU . 89.3 m -73.32 82.0 1.38 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 33' ' ' THR . 12.9 mt -35.18 144.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.9 mt -132.41 -46.46 0.9 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -165.48 158.74 16.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -97.52 110.08 22.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.781 HG23 ' HB2' ' A' ' 44' ' ' GLU . 58.7 t -72.23 -56.08 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.106 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -127.28 165.48 19.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -57.56 -28.6 63.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.443 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 83.0 m-20 -121.88 31.0 6.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.443 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 60.5 m95 -151.05 115.89 5.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.612 ' CD2' HD12 ' A' ' 58' ' ' ILE . 9.7 m-85 -99.25 143.41 29.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.781 ' HB2' HG23 ' A' ' 38' ' ' VAL . 4.6 tt0 -103.66 143.69 32.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.948 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -173.24 170.65 43.8 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -118.85 -176.73 3.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.837 0.351 . . . . 0.0 110.84 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.604 HG23 ' HD2' ' A' ' 48' ' ' PRO . 25.6 mm -129.14 136.76 29.66 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.633 0.73 . . . . 0.0 111.132 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.604 ' HD2' HG23 ' A' ' 47' ' ' ILE . 53.9 Cg_endo -69.75 138.0 36.82 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.661 2.241 . . . . 0.0 112.302 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.36 -38.11 3.01 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.457 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.1 p -99.16 -29.1 13.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.834 0.35 . . . . 0.0 111.162 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 t 64.21 33.71 11.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -57.62 174.37 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -170.98 130.22 0.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.08 -145.82 8.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.506 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.739 HG22 HG21 ' A' ' 38' ' ' VAL . 13.4 pt -131.22 168.06 24.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.879 0.371 . . . . 0.0 111.135 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -174.81 154.32 1.8 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.616 0.722 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.507 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 54.1 Cg_endo -69.71 173.75 10.46 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.612 HD12 ' CD2' ' A' ' 43' ' ' TYR . 2.6 mm -83.83 -61.07 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 58' ' ' ILE . 63.4 p -34.06 -54.43 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.507 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 16.6 m-85 -48.33 -52.54 21.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.871 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.449 HG12 ' CD1' ' A' ' 32' ' ' ILE . 34.2 m -88.14 164.72 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.69 106.12 7.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 62.6 t -61.31 127.51 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.188 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.433 ' O ' ' C ' ' A' ' 65' ' ' SER . 47.0 mm -59.28 -65.48 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.175 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 64' ' ' ILE . 1.9 t -35.59 -57.32 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.11 169.6 27.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 109.07 2.23 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.68 2.254 . . . . 0.0 112.34 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 m -154.41 144.96 22.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.82 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 95.5 p -99.15 119.5 37.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.508 -179.97 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m 45.26 38.69 3.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.37 . . . . 0.0 110.872 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 t -106.36 95.42 5.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.69 -118.15 3.06 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.53 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.4 p -130.75 157.78 41.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.913 0.387 . . . . 0.0 110.827 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -151.3 137.25 18.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.828 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.31 -62.8 0.36 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.486 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 151.46 128.53 1.46 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -77.33 149.4 35.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.886 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -143.61 153.79 42.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.071 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.43 HG12 HD11 ' A' ' 64' ' ' ILE . 31.2 mm -117.77 135.63 57.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.47 88.12 6.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -57.09 -25.09 58.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -147.77 163.99 34.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -83.95 146.9 27.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -119.81 135.52 54.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -112.17 95.01 5.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.46 144.85 19.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.62 ' OD1' HG23 ' A' ' 20' ' ' THR . 0.4 OUTLIER -102.89 -47.02 4.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.924 0.392 . . . . 0.0 110.884 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.62 HG23 ' OD1' ' A' ' 19' ' ' ASP . 47.9 p -83.4 173.83 11.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.08 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -76.47 -44.59 34.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.8 p -54.2 -18.65 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -97.24 121.88 39.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.5 tmm? -97.25 127.61 43.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 85.2 p -94.61 155.06 17.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.7 p90 -153.78 158.94 41.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.401 ' C ' ' OE1' ' A' ' 30' ' ' GLU . 12.6 tpt180 -102.44 151.89 21.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -56.49 131.18 47.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.79 -40.01 2.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.401 ' OE1' ' C ' ' A' ' 27' ' ' ARG . 1.6 mp0 -43.76 167.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.875 0.369 . . . . 0.0 110.852 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.442 ' C ' HG13 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -101.3 161.65 13.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.856 -179.892 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.442 HG13 ' C ' ' A' ' 31' ' ' ARG . 79.7 mt -154.98 113.05 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.7 m -83.39 95.35 8.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.4 mt -53.26 134.0 39.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.3 mt -113.17 -43.38 3.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.953 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 36' ' ' ARG . 3.4 ptp180 -161.39 179.96 7.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -120.35 106.57 11.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.773 HG21 HG22 ' A' ' 55' ' ' ILE . 61.5 t -67.22 -58.26 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -125.25 161.97 25.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -56.81 -24.56 51.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.489 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 21.2 m-80 -121.4 30.77 6.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.489 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 76.0 m95 -155.19 116.05 3.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.816 ' CD2' HD12 ' A' ' 58' ' ' ILE . 17.2 m-85 -98.88 146.54 25.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.597 ' HB2' HG23 ' A' ' 38' ' ' VAL . 19.7 tt0 -105.54 148.65 27.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -179.45 169.27 40.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.515 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -114.51 -177.44 3.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.654 HG23 ' HD2' ' A' ' 48' ' ' PRO . 20.2 mm -121.35 138.68 28.47 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.668 0.747 . . . . 0.0 111.13 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.654 ' HD2' HG23 ' A' ' 47' ' ' ILE . 53.7 Cg_endo -69.78 137.53 35.63 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.683 2.255 . . . . 0.0 112.359 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.05 -28.62 3.62 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.8 p -115.72 160.51 19.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.826 0.346 . . . . 0.0 111.11 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.0 t -96.97 48.7 1.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -79.6 157.0 27.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -173.91 126.4 0.37 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 177.68 -146.84 7.82 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.517 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.773 HG22 HG21 ' A' ' 38' ' ' VAL . 37.2 pt -127.08 168.4 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.328 . . . . 0.0 111.185 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 16.7 p90 -169.43 155.54 6.12 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.662 0.744 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.505 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 54.2 Cg_endo -69.69 167.75 23.43 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.24 . . . . 0.0 112.376 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.816 HD12 ' CD2' ' A' ' 43' ' ' TYR . 5.7 mm -85.8 -58.83 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.083 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.0 p -38.29 -31.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.505 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 9.7 m-85 -71.02 -48.88 50.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.429 ' O ' HG23 ' A' ' 61' ' ' VAL . 34.0 m -112.09 126.8 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.129 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.28 105.33 17.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.6 p -68.81 127.16 30.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.43 HD11 HG12 ' A' ' 11' ' ' ILE . 5.2 mp -80.16 -54.69 10.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -90.86 41.73 1.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -117.68 164.81 12.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 117.78 5.29 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.689 2.259 . . . . 0.0 112.368 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 56.6 p -164.97 112.58 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 98.5 p -74.23 -17.98 60.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.443 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.2 m -89.76 53.52 2.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 110.888 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.4 p -142.62 118.84 10.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.06 136.38 2.27 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.9 m -124.22 95.19 4.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.906 0.384 . . . . 0.0 110.812 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.0 m -107.89 107.43 18.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.857 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.56 78.65 0.17 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -137.09 133.65 6.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -115.97 139.48 50.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.85 0.357 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -140.46 164.36 30.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.9 mm -132.84 127.97 56.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.116 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 27' ' ' ARG . . . -64.8 100.38 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.139 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.557 ' O ' ' CD2' ' A' ' 14' ' ' PHE . 1.5 mmmm -68.04 -11.49 59.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.557 ' CD2' ' O ' ' A' ' 13' ' ' LYS . 82.9 m-85 -162.54 159.42 24.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -70.81 150.42 45.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -135.07 149.71 50.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -134.14 90.18 2.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -48.2 126.5 15.03 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -80.28 -33.96 37.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.869 0.366 . . . . 0.0 110.839 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.3 p -109.68 175.53 5.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -79.67 -14.81 58.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.907 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.594 ' O ' HG22 ' A' ' 22' ' ' VAL . 3.9 p -86.05 -4.19 9.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -103.31 136.92 42.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.5 ttp -100.45 110.85 23.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.4 t -72.52 158.1 36.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -161.7 157.47 24.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.478 ' O ' ' CB ' ' A' ' 12' ' ' ALA . 31.3 mtm-85 -96.66 -178.67 4.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.4 tttt -81.89 127.27 32.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.21 -28.19 12.68 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.484 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -48.78 151.55 1.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.814 0.34 . . . . 0.0 110.921 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.429 ' C ' HG13 ' A' ' 32' ' ' ILE . 14.1 mtp180 -85.75 158.93 19.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.429 HG13 ' C ' ' A' ' 31' ' ' ARG . 86.3 mt -154.22 106.1 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 85.5 m -72.24 106.16 4.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 28.2 mt -59.18 109.49 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.75 HD11 ' HE ' ' A' ' 46' ' ' ARG . 25.6 mt -87.86 -45.41 10.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -168.54 161.63 11.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -99.64 99.65 10.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.689 HG23 ' HB2' ' A' ' 44' ' ' GLU . 85.6 t -62.13 -59.35 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.087 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -124.78 171.62 9.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -64.44 -23.65 67.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.414 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 3.7 m120 -123.7 29.93 6.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.486 ' N ' HD11 ' A' ' 58' ' ' ILE . 69.4 m95 -151.97 119.49 6.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.942 ' CD2' HD12 ' A' ' 58' ' ' ILE . 8.9 m-85 -106.67 134.63 49.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.689 ' HB2' HG23 ' A' ' 38' ' ' VAL . 32.3 tt0 -96.4 157.33 15.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.449 ' N ' ' HG2' ' A' ' 44' ' ' GLU . . . 171.27 175.46 39.73 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.476 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.75 ' HE ' HD11 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -120.29 -179.16 3.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.813 0.34 . . . . 0.0 110.867 -179.85 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.666 HG23 ' HD2' ' A' ' 48' ' ' PRO . 26.9 mm -121.31 138.67 28.42 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.609 0.719 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.666 ' HD2' HG23 ' A' ' 47' ' ' ILE . 53.8 Cg_endo -69.77 140.24 42.15 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.25 -34.37 2.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.524 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.9 p -109.67 169.66 8.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.772 0.32 . . . . 0.0 111.139 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 58.2 m -101.86 45.54 0.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.822 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.466 ' CG ' ' HB ' ' A' ' 47' ' ' ILE . 16.5 mmm-85 -78.79 139.94 38.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -162.83 114.86 1.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -173.73 -153.64 9.92 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.463 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.644 HG22 HG21 ' A' ' 38' ' ' VAL . 15.0 pt -117.0 169.79 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.913 0.387 . . . . 0.0 111.087 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.594 ' CE1' ' O ' ' A' ' 43' ' ' TYR . 16.2 p90 -174.13 153.78 2.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.691 0.757 . . . . 0.0 110.872 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.489 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.7 Cg_endo -69.79 166.93 25.97 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.642 2.228 . . . . 0.0 112.355 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.942 HD12 ' CD2' ' A' ' 43' ' ' TYR . 3.9 mm -84.22 -60.3 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 58' ' ' ILE . 24.4 p -34.75 -39.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.489 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 15.2 m-85 -63.43 -47.03 83.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' A' ' 58' ' ' ILE . 34.5 m -107.73 121.97 61.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.151 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -88.28 121.68 30.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 98.2 t -80.26 119.47 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 56.4 mt -76.93 -51.86 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 36.5 t -44.19 120.46 2.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 163.1 156.56 8.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -0.63 7.19 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.734 2.29 . . . . 0.0 112.308 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.1 t -82.01 138.69 34.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 43.1 t -92.58 154.04 18.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.494 179.975 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -102.43 132.65 48.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 0.0 110.84 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.1 m -52.93 157.75 1.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.814 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.95 -162.44 35.63 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.528 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 t -96.39 156.26 16.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 0.0 110.848 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -78.98 151.49 31.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.831 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.2 -82.73 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.462 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -174.66 152.34 13.95 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.473 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -117.92 159.7 22.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.929 0.395 . . . . 0.0 110.843 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.27 156.9 29.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.063 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.531 HD13 ' HA ' ' A' ' 31' ' ' ARG . 44.5 mm -129.25 130.92 67.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.28 117.35 11.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -75.53 -36.53 60.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -134.24 -176.36 4.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -94.41 128.51 41.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.558 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . 29.7 t80 -110.15 129.45 55.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -110.99 83.8 1.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.2 122.83 10.01 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.458 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -85.83 -39.48 17.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.928 0.394 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.7 p -89.11 157.75 18.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -61.68 -47.7 84.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.426 HG23 ' N ' ' A' ' 23' ' ' GLU . 34.1 m -47.32 -40.97 6.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.426 ' N ' HG23 ' A' ' 22' ' ' VAL . 74.7 mt-10 -75.91 161.94 28.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.9 tmm? -131.36 138.47 49.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.6 p -101.64 124.93 48.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 16' ' ' PHE . 2.2 p90 -124.19 148.16 47.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -87.29 138.35 31.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -56.47 99.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 134.14 -36.41 2.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.505 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -71.91 133.14 45.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.369 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.531 ' HA ' HD13 ' A' ' 11' ' ' ILE . 28.3 ptt180 -65.59 171.98 3.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.602 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 18.1 mt -136.34 107.44 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.183 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.1 m -62.36 91.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.161 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 44.2 mt -53.69 104.64 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.446 HD21 ' NH1' ' A' ' 46' ' ' ARG . 18.2 mt -86.55 -43.66 12.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -169.61 166.12 10.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -103.65 104.75 14.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.774 HG21 HG22 ' A' ' 55' ' ' ILE . 53.2 t -62.84 -62.61 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.1 174.89 7.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -64.53 -18.4 64.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.589 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 25.1 m-80 -131.47 39.07 3.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.589 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 74.9 m95 -159.15 110.6 2.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.556 ' CD2' HD12 ' A' ' 58' ' ' ILE . 13.8 m-85 -95.51 141.8 28.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.473 ' HB2' HG23 ' A' ' 38' ' ' VAL . 22.8 tt0 -101.73 141.88 33.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 177.91 162.23 27.51 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.471 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.446 ' NH1' HD21 ' A' ' 35' ' ' LEU . 7.0 ptp85 -123.22 176.67 5.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 110.855 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.553 HG23 ' HD2' ' A' ' 48' ' ' PRO . 8.4 mm -107.61 135.77 19.72 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.628 0.727 . . . . 0.0 111.127 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.553 ' HD2' HG23 ' A' ' 47' ' ' ILE . 54.2 Cg_endo -69.7 114.99 3.88 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.728 2.286 . . . . 0.0 112.369 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.6 -43.48 1.71 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.489 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 64.9 p -99.58 179.92 4.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.798 0.332 . . . . 0.0 111.133 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.5 m -112.09 46.74 1.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 47.3 mtt180 -97.47 95.43 7.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -127.29 146.29 50.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.939 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.42 -137.77 5.02 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.774 HG22 HG21 ' A' ' 38' ' ' VAL . 32.2 pt -126.92 169.38 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.891 0.377 . . . . 0.0 111.121 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.602 ' CZ ' HG21 ' A' ' 32' ' ' ILE . 16.7 p90 -175.04 155.02 1.78 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.603 0.715 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.595 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.6 Cg_endo -69.79 165.38 31.2 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.664 2.242 . . . . 0.0 112.356 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.556 HD12 ' CD2' ' A' ' 43' ' ' TYR . 3.0 mm -75.38 -62.91 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 58' ' ' ILE . 36.7 p -33.44 -50.74 0.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.168 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.595 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 8.8 m-85 -49.19 -47.69 45.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 58' ' ' ILE . 22.2 m -96.75 157.07 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.132 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.89 115.27 22.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.0 t -75.11 133.43 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 48.0 mt -101.13 -61.66 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.2 t -63.0 152.12 37.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 163.3 174.84 33.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.538 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -8.27 23.17 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.678 2.252 . . . . 0.0 112.338 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 81.4 p -130.09 150.27 51.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.827 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.5 m 55.93 44.14 26.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.463 -179.973 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -130.18 150.14 51.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.903 0.382 . . . . 0.0 110.846 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -146.57 167.85 22.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.077 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.8 mm -132.86 125.53 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.98 99.5 0.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -60.77 -24.6 65.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -147.61 -179.09 6.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -91.3 140.85 29.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.441 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . 31.0 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.823 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.882 0.372 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -124.4 138.72 54.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 89.1 p -100.71 141.15 33.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.441 ' CE1' ' HB2' ' A' ' 16' ' ' PHE . 4.5 p90 -139.24 149.03 43.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.403 ' HB3' ' CG ' ' A' ' 30' ' ' GLU . 68.1 ttt180 -91.55 143.68 26.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.3 tttp -51.73 118.96 3.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.43 -32.72 7.04 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.445 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.403 ' CG ' ' HB3' ' A' ' 27' ' ' ARG . 32.9 mm-40 -51.51 145.04 9.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.79 0.328 . . . . 0.0 110.908 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -86.01 122.11 29.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.415 HG12 HD11 ' A' ' 47' ' ' ILE . 33.3 mt -102.31 103.08 14.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.9 m -65.16 90.66 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 52.9 mt -52.35 127.6 22.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.958 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.5 mt -111.15 -51.09 2.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -163.13 155.75 18.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.5 ' CD ' ' CE1' ' A' ' 43' ' ' TYR . 59.8 tt0 -95.31 115.77 27.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.671 HG21 HG22 ' A' ' 55' ' ' ILE . 94.2 t -69.65 -65.48 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -118.84 -175.41 2.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -71.83 -21.18 61.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.551 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 57.1 m-20 -129.74 37.8 3.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.721 ' N ' HD11 ' A' ' 58' ' ' ILE . 82.3 m95 -158.37 115.62 2.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.629 ' CD2' HD12 ' A' ' 58' ' ' ILE . 10.2 m-85 -102.78 147.06 27.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.938 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.407 ' HB2' HG23 ' A' ' 38' ' ' VAL . 6.9 tt0 -105.96 150.31 25.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 175.94 165.57 32.02 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.496 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.0 ptt85 -114.17 174.23 6.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.329 . . . . 0.0 110.862 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.415 HD11 HG12 ' A' ' 32' ' ' ILE . 48.9 mm . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 121.673 0.749 . . . . 0.0 111.128 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.671 HG22 HG21 ' A' ' 38' ' ' VAL . 11.1 pt -125.55 168.53 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 0.0 111.131 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -172.8 155.77 3.12 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.684 0.754 . . . . 0.0 110.859 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.587 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.4 Cg_endo -69.82 163.74 37.18 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.721 HD11 ' N ' ' A' ' 42' ' ' TRP . 2.0 mm -78.04 -63.27 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.144 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 58' ' ' ILE . 1.6 p -34.07 -37.76 0.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.587 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 7.5 m-85 -62.01 -51.39 68.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 58' ' ' ILE . 4.1 m -102.21 136.81 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.156 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -108.64 106.73 16.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.1 p -77.64 143.21 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.556 ' N ' HD12 ' A' ' 64' ' ' ILE . 4.1 mp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -146.73 131.56 18.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.886 0.374 . . . . 0.0 110.895 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -132.24 147.43 52.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.8 mm -111.44 129.39 66.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.6 91.51 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.044 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -51.61 -40.88 60.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -133.9 178.83 6.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -89.7 137.02 32.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.3 t80 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.817 0.342 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 31.4 ttp -99.27 99.76 10.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.1 p -67.61 148.75 50.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -149.81 162.68 39.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.9 mtm180 -104.8 159.21 15.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -60.68 144.54 51.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.0 -38.98 3.13 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.526 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -43.85 157.52 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -114.86 118.81 34.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.578 HG12 HD11 ' A' ' 47' ' ' ILE . 46.6 mt -100.43 114.72 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 37.1 m -69.14 86.5 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.1 mt -42.9 137.82 2.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.962 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 53.7 mt -124.53 -49.36 1.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -158.75 173.24 16.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -118.01 108.22 14.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.0 t -65.94 -69.82 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -106.75 -179.5 3.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -76.29 -12.46 60.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.526 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 12.3 m-80 -133.85 33.05 3.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.526 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 69.3 m95 -154.83 117.35 4.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.814 ' CD2' HD12 ' A' ' 58' ' ' ILE . 9.6 m-85 -99.15 145.88 26.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -105.91 157.24 17.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 172.83 175.43 40.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.45 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -127.59 173.31 9.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.788 0.328 . . . . 0.0 110.874 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.578 HD11 HG12 ' A' ' 32' ' ' ILE . 49.2 mm . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 121.58 0.705 . . . . 0.0 111.125 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 27.0 pt -134.98 163.3 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.915 0.388 . . . . 0.0 111.145 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -169.04 154.85 6.23 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.607 0.718 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.444 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.6 Cg_endo -69.78 177.0 6.03 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.634 2.222 . . . . 0.0 112.375 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.814 HD12 ' CD2' ' A' ' 43' ' ' TYR . 4.1 mm -90.57 -60.35 2.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 58' ' ' ILE . 57.7 p -34.36 -46.53 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.444 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 21.1 m-85 -57.03 -53.46 57.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.53 ' O ' HG23 ' A' ' 61' ' ' VAL . 25.9 m -103.6 120.94 54.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.088 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.83 105.41 17.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.5 p -74.84 131.66 34.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.4 ' H ' HD12 ' A' ' 64' ' ' ILE . 4.9 mp . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -124.12 154.9 39.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.829 0.347 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -143.28 162.35 35.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.578 HG12 HD11 ' A' ' 64' ' ' ILE . 49.3 mm -124.83 118.91 54.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.533 ' HA ' HG12 ' A' ' 61' ' ' VAL . . . -66.66 91.98 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -55.33 -33.7 63.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -142.65 144.81 32.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.469 ' ND2' ' HA ' ' A' ' 27' ' ' ARG . 24.0 t-20 -63.8 125.13 23.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.867 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.536 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . 89.2 t80 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.905 0.383 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 12.2 tmm? -110.86 133.77 53.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 96.4 p -93.58 135.93 34.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.601 ' CG ' HD11 ' A' ' 32' ' ' ILE . 9.1 p90 -133.48 156.54 47.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.469 ' HA ' ' ND2' ' A' ' 15' ' ' ASN . 11.9 ttt180 -95.76 148.76 22.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -54.9 111.67 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.18 -35.27 4.94 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -42.29 156.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -106.07 109.99 22.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.601 HD11 ' CG ' ' A' ' 26' ' ' PHE . 74.6 mt -93.21 110.34 23.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 48.3 m -63.88 92.74 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.087 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 44' ' ' GLU . 13.4 mt -52.48 118.49 3.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.1 mt -99.41 -41.5 7.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -169.96 174.64 5.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -114.85 102.78 10.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.7 t -63.4 -68.26 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -109.49 163.21 13.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -60.48 -21.12 62.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.565 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 2.3 m-80 -124.5 33.84 5.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.565 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 70.2 m95 -156.35 118.4 3.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.766 ' CD2' HD12 ' A' ' 58' ' ' ILE . 19.3 m-85 -102.03 140.9 35.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.422 ' O ' HD23 ' A' ' 34' ' ' LEU . 28.9 tt0 -98.69 157.44 16.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 174.7 162.3 25.99 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -121.22 171.01 9.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.787 0.327 . . . . 0.0 110.888 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.548 HD11 HG12 ' A' ' 32' ' ' ILE . 48.5 mm . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.602 0.715 . . . . 0.0 111.172 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 23.4 pt -123.81 168.74 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.874 0.369 . . . . 0.0 111.146 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.559 ' CE1' HG21 ' A' ' 61' ' ' VAL . 15.8 p90 -172.93 154.84 2.85 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.63 0.728 . . . . 0.0 110.893 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.558 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.6 Cg_endo -69.73 176.98 6.03 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.693 2.262 . . . . 0.0 112.348 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.766 HD12 ' CD2' ' A' ' 43' ' ' TYR . 4.4 mm -90.44 -60.65 2.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 58' ' ' ILE . 60.9 p -36.09 -30.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.12 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.558 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 11.6 m-85 -72.33 -48.29 43.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.933 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.559 HG21 ' CE1' ' A' ' 56' ' ' PHE . 5.8 m -111.47 136.63 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.113 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -107.07 111.59 24.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.8 p -78.47 136.71 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.137 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.578 HD11 HG12 ' A' ' 11' ' ' ILE . 5.2 mp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -134.32 129.04 34.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.876 0.369 . . . . 0.0 110.867 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -131.57 151.42 51.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.7 mm -123.75 124.34 69.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.115 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.57 101.03 0.73 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -67.8 -20.65 65.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -145.37 170.16 16.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -86.89 135.01 33.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.0 t80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.847 0.356 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 31.7 ttp -94.36 118.3 31.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.9 p -84.89 147.65 26.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -151.92 159.13 43.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -104.57 149.47 25.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -50.71 147.95 4.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.28 -40.07 3.01 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -47.05 158.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.2 ttm180 -114.6 128.72 56.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.517 HD12 HG11 ' A' ' 61' ' ' VAL . 69.6 mt -108.63 110.55 32.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 47.5 m -62.25 91.33 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.2 mt -42.39 135.99 2.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.767 HD12 ' HA2' ' A' ' 45' ' ' GLY . 11.2 mt -123.34 -55.62 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -155.46 -177.44 6.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -120.53 102.23 8.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.609 HG21 HG22 ' A' ' 55' ' ' ILE . 55.8 t -63.84 -67.28 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -112.21 168.0 9.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -62.81 -15.59 54.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.599 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 16.1 m-80 -133.35 33.42 3.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 59.2 m95 -154.87 115.69 3.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.607 ' CD2' HD12 ' A' ' 58' ' ' ILE . 28.7 m-85 -98.1 144.63 27.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.97 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.585 ' HB2' HG23 ' A' ' 38' ' ' VAL . 7.8 tm-20 -101.34 148.7 24.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.767 ' HA2' HD12 ' A' ' 35' ' ' LEU . . . -174.91 171.62 44.75 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.551 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.9 ptt85 -122.62 177.2 5.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.357 . . . . 0.0 110.849 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.8 mm . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.641 0.734 . . . . 0.0 111.155 179.947 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.609 HG22 HG21 ' A' ' 38' ' ' VAL . 24.3 pt -147.11 168.42 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.363 . . . . 0.0 111.138 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.455 ' CE1' HG21 ' A' ' 61' ' ' VAL . 17.9 p90 -173.71 154.22 2.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.683 0.754 . . . . 0.0 110.877 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.594 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.6 Cg_endo -69.79 176.69 6.45 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.689 2.259 . . . . 0.0 112.308 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.607 HD12 ' CD2' ' A' ' 43' ' ' TYR . 4.9 mm -86.05 -61.59 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.111 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 58' ' ' ILE . 35.1 p -34.77 -48.02 0.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.594 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 17.8 m-85 -54.0 -55.91 22.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.517 HG11 HD12 ' A' ' 32' ' ' ILE . 30.5 m -98.2 121.22 48.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.093 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -90.69 111.58 22.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.6 t -73.68 121.35 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.428 HD12 ' H ' ' A' ' 64' ' ' ILE . 4.9 mp . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -137.21 138.65 40.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.33 . . . . 0.0 110.931 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -146.06 168.66 20.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.2 mm -130.86 131.87 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.7 104.99 2.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.065 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.474 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 26.8 mtpp -68.48 -18.38 64.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.474 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 96.9 m-85 -159.83 172.84 16.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -80.95 136.94 36.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.535 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . 13.4 t80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.854 0.359 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.1 tmm? -94.7 135.71 35.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.6 t -95.97 154.16 17.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.535 ' CE1' ' HB2' ' A' ' 16' ' ' PHE . 2.4 p90 -148.83 153.75 38.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 -102.28 137.63 40.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.0 ttpt -41.56 123.3 2.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.59 -42.56 1.87 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -44.26 149.32 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.341 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -91.01 144.79 25.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.829 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.601 HD13 HG11 ' A' ' 61' ' ' VAL . 26.2 mt -125.86 108.66 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.3 m -75.08 90.34 2.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 72.2 mt -49.01 130.34 18.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 30.7 mt -115.21 -50.08 2.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -156.88 161.6 39.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -109.01 98.8 8.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 80.9 t -58.54 -63.83 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -114.82 173.47 6.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.816 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -69.65 -17.6 63.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.511 ' C ' HD11 ' A' ' 58' ' ' ILE . 30.0 m120 -127.45 27.63 5.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.689 ' N ' HD11 ' A' ' 58' ' ' ILE . 55.5 m95 -149.51 120.89 7.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.654 ' CD2' HD12 ' A' ' 58' ' ' ILE . 10.4 m-85 -107.4 131.68 54.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -99.42 135.51 40.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -166.69 174.75 42.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.524 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.7 ptt-85 -123.95 178.24 5.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 110.885 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.8 mm . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.61 0.719 . . . . 0.0 111.149 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 35.0 pt -110.0 165.1 5.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.888 0.375 . . . . 0.0 111.13 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.488 ' CZ ' ' O ' ' A' ' 43' ' ' TYR . 17.1 p90 -174.88 154.76 1.82 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.655 0.74 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.545 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.7 Cg_endo -69.73 161.01 47.58 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.664 2.243 . . . . 0.0 112.381 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.689 HD11 ' N ' ' A' ' 42' ' ' TRP . 1.5 mm -79.14 -62.18 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.155 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 58' ' ' ILE . 32.4 p -34.06 -35.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.545 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 8.8 m-85 -65.08 -53.93 37.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.601 HG11 HD13 ' A' ' 32' ' ' ILE . 35.2 m -94.64 150.68 3.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.169 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.82 105.5 12.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.0 p -83.53 128.79 38.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.44 HD12 ' H ' ' A' ' 64' ' ' ILE . 4.9 mp . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.166 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -125.58 -175.05 3.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.888 0.375 . . . . 0.0 110.896 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -172.0 148.87 2.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.073 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.421 HD11 ' HD2' ' A' ' 31' ' ' ARG . 20.5 mm -117.29 127.22 74.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.512 ' HB1' ' CD1' ' A' ' 26' ' ' PHE . . . -69.72 106.19 3.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -57.99 -33.28 68.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -142.0 179.94 6.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -84.6 148.85 26.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . 85.8 t80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.839 0.352 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 8.3 tmm? -109.28 140.9 42.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.2 p -100.76 141.95 32.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.512 ' CD1' ' HB1' ' A' ' 12' ' ' ALA . 13.6 p90 -133.73 158.26 43.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.404 ' HB2' ' CD ' ' A' ' 30' ' ' GLU . 2.8 mpt_? -100.21 151.86 20.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.1 ttpt -64.19 106.25 1.04 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 105.52 35.71 3.01 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.486 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.404 ' CD ' ' HB2' ' A' ' 27' ' ' ARG . 18.0 mt-10 -119.81 162.38 19.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.815 0.341 . . . . 0.0 110.914 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.421 ' HD2' HD11 ' A' ' 11' ' ' ILE . 1.9 tpt180 -93.67 147.0 23.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 85.1 mt -130.87 109.75 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.178 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 83.7 m -69.53 95.57 0.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 mt -58.56 125.95 25.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.1 mt -113.46 -35.95 5.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -173.29 173.52 3.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -117.9 105.62 12.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.477 HG23 ' HB2' ' A' ' 44' ' ' GLU . 79.4 t -65.3 -61.26 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -117.14 164.07 15.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -64.21 -13.03 46.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -130.32 20.11 5.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 60.1 m95 -144.02 118.86 9.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.806 ' CD2' HD12 ' A' ' 58' ' ' ILE . 7.1 m-85 -99.68 145.35 27.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.477 ' HB2' HG23 ' A' ' 38' ' ' VAL . 13.2 tt0 -109.71 140.19 43.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.877 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -172.36 170.37 43.41 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -122.19 163.22 19.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.831 0.348 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.4 mm . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.621 0.724 . . . . 0.0 111.122 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.6 pt -128.02 163.63 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 111.151 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -170.13 154.15 4.9 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.632 0.73 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.527 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.7 Cg_endo -69.75 173.4 11.03 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.391 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.806 HD12 ' CD2' ' A' ' 43' ' ' TYR . 2.8 mm -90.0 -61.35 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.101 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 58' ' ' ILE . 24.9 p -34.09 -38.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.527 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 12.9 m-85 -62.27 -52.87 61.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.955 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.415 ' N ' ' O ' ' A' ' 58' ' ' ILE . 18.0 m -97.52 137.1 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.163 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.18 109.36 21.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 71.6 t -73.42 138.0 22.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.096 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.445 HD12 ' H ' ' A' ' 64' ' ' ILE . 4.6 mp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -150.08 139.39 21.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 0.0 110.944 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.487 ' O ' HD13 ' A' ' 11' ' ' ILE . . . -141.07 151.21 43.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.078 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.635 HG12 HD11 ' A' ' 64' ' ' ILE . 8.1 mm -113.78 135.77 52.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.96 108.82 11.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.5 mmmt -70.69 -25.45 62.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -148.17 -176.13 5.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -96.82 135.29 39.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.51 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . 69.3 t80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.888 0.375 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.414 ' C ' ' SD ' ' A' ' 24' ' ' MET . 6.0 tmm? -105.14 127.11 52.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.7 m -86.67 141.17 29.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.51 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 17.6 p90 -137.4 152.65 49.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -103.55 136.06 43.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -42.39 132.79 3.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.57 -38.95 2.93 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -43.46 158.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.866 0.365 . . . . 0.0 110.9 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.5 ttp85 -103.95 107.15 17.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.841 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.445 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 52.0 mt -90.99 104.66 15.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.071 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.2 m -69.2 90.84 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.187 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.434 HD11 ' HB2' ' A' ' 10' ' ' ALA . 18.1 mt -47.09 126.51 9.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.7 mt -108.95 -47.17 3.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.488 ' O ' ' CB ' ' A' ' 44' ' ' GLU . 31.3 ptt180 -170.13 155.78 5.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -92.71 113.69 26.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.513 HG21 HG22 ' A' ' 55' ' ' ILE . 59.6 t -75.45 -62.37 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -113.09 164.96 12.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -56.59 -24.5 48.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.54 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 3.4 m-80 -127.9 34.86 4.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.867 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.54 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 60.7 m95 -153.55 116.69 4.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.71 ' CD2' HD12 ' A' ' 58' ' ' ILE . 19.7 m-85 -100.59 153.44 19.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.488 ' CB ' ' O ' ' A' ' 36' ' ' ARG . 21.3 tt0 -107.68 150.19 27.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.74 169.0 40.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.462 ' C ' HD13 ' A' ' 47' ' ' ILE . 32.0 ptt180 -128.5 161.69 28.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.332 . . . . 0.0 110.894 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.462 HD13 ' C ' ' A' ' 46' ' ' ARG . 5.4 mm . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.584 0.707 . . . . 0.0 111.141 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.513 HG22 HG21 ' A' ' 38' ' ' VAL . 24.0 pt -130.57 169.89 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.935 0.398 . . . . 0.0 111.1 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.445 ' CZ ' HG21 ' A' ' 32' ' ' ILE . 12.5 p90 -175.03 155.11 1.79 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.691 0.758 . . . . 0.0 110.849 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.528 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.8 Cg_endo -69.74 -179.76 3.13 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.682 2.255 . . . . 0.0 112.384 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.71 HD12 ' CD2' ' A' ' 43' ' ' TYR . 4.0 mm -91.23 -59.3 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 58' ' ' ILE . 40.7 p -34.08 -43.92 0.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.528 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 15.5 m-85 -58.49 -52.09 67.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 61' ' ' VAL . 15.4 m -105.74 121.55 58.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.148 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -93.4 80.53 4.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.3 p -49.76 126.52 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.108 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.679 ' H ' HD12 ' A' ' 64' ' ' ILE . 4.8 mp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.405 ' HG3' HD12 ' A' ' 64' ' ' ILE . 7.7 pt-20 -135.23 166.95 21.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.849 0.357 . . . . 0.0 110.9 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.2 159.42 42.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.505 HG12 HD11 ' A' ' 64' ' ' ILE . 30.3 mm -110.93 124.04 67.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.43 95.39 1.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.525 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 1.4 mmmm -61.09 -22.67 64.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.525 ' CD1' ' O ' ' A' ' 13' ' ' LYS . 48.1 m-85 -152.61 178.41 9.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -96.9 134.6 40.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 80.4 t80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.959 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.85 0.357 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.9 tmm? -114.36 134.86 54.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.6 p -102.57 137.57 40.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -126.86 170.49 12.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 28' ' ' LYS . 54.8 ttt180 -116.57 136.51 52.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.845 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 27' ' ' ARG . 22.8 tttp -37.15 130.3 0.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.43 -42.13 2.49 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.441 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -40.31 144.41 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.377 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -98.29 119.64 37.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.901 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.626 HD12 HG11 ' A' ' 61' ' ' VAL . 28.7 mt -103.89 101.3 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 37.4 m -64.56 92.47 0.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.2 mt -50.89 122.53 7.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.5 mt -107.36 -48.64 3.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -155.67 159.03 39.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.481 ' HG3' ' CD1' ' A' ' 43' ' ' TYR . 66.0 tt0 -105.82 118.82 37.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.454 HG21 HG22 ' A' ' 55' ' ' ILE . 66.2 t -72.62 -63.08 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -120.46 -176.2 3.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -71.79 -21.25 61.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.485 ' C ' HD11 ' A' ' 58' ' ' ILE . 26.3 m120 -127.61 36.05 4.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.807 ' N ' HD11 ' A' ' 58' ' ' ILE . 86.9 m95 -157.06 119.79 3.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.714 ' CD2' HD12 ' A' ' 58' ' ' ILE . 14.3 m-85 -109.03 138.77 44.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.927 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -103.35 139.67 38.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.83 -177.95 37.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.444 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.3 ptt180 -130.57 164.82 24.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.803 0.335 . . . . 0.0 110.838 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.453 HD11 HG12 ' A' ' 32' ' ' ILE . 38.9 mm . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.613 0.721 . . . . 0.0 111.127 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.454 HG22 HG21 ' A' ' 38' ' ' VAL . 27.3 pt -145.93 165.35 9.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 0.0 111.157 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.468 ' CZ ' HG21 ' A' ' 32' ' ' ILE . 8.7 p90 -170.72 155.97 4.92 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.68 0.752 . . . . 0.0 110.829 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.593 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.8 Cg_endo -69.75 161.08 47.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.646 2.231 . . . . 0.0 112.335 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.807 HD11 ' N ' ' A' ' 42' ' ' TRP . 1.5 mm -79.38 -63.56 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 58' ' ' ILE . 60.9 p -33.97 -36.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.593 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 8.3 m-85 -61.78 -53.56 54.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.626 HG11 HD12 ' A' ' 32' ' ' ILE . 34.6 m -101.56 143.34 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.136 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.26 105.64 14.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.9 p -62.28 139.85 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.505 HD11 HG12 ' A' ' 11' ' ' ILE . 12.1 mt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.174 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -136.84 144.96 43.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.358 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -150.66 169.19 22.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.947 HG13 HD11 ' A' ' 64' ' ' ILE . 2.8 mt -138.78 138.94 41.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.46 101.47 4.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.542 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -68.8 -11.07 60.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.542 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 98.3 m-85 -162.89 156.72 20.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -68.83 136.52 52.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 62.1 t80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.832 0.349 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.2 tmm? -114.32 127.1 55.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 59.7 p -92.1 147.47 22.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -146.64 151.54 37.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.3 mtp85 -95.56 149.76 21.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -58.63 133.16 55.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.55 -28.24 16.39 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.498 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -65.14 154.14 38.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.852 0.358 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.3 ttm-85 -108.88 120.73 43.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 36.6 mt -89.92 123.41 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 55.9 m -78.2 81.14 4.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.143 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.9 mt -39.46 136.53 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.924 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.6 mt -122.12 -36.36 2.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.414 ' NH1' ' HB2' ' A' ' 36' ' ' ARG . 3.5 ptm85 -171.43 177.17 3.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -118.3 115.25 24.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.421 HG21 HG22 ' A' ' 55' ' ' ILE . 43.9 t -74.43 -70.74 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -111.43 -178.31 3.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -71.32 -18.31 62.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.565 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 90.0 m-20 -130.8 37.01 3.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.656 ' N ' HD11 ' A' ' 58' ' ' ILE . 80.2 m95 -157.97 115.53 2.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.584 ' CD2' HD12 ' A' ' 58' ' ' ILE . 15.7 m-85 -103.45 138.54 40.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -93.14 143.16 26.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -170.74 164.33 37.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.473 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -122.43 168.46 12.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 0.0 110.86 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 39.0 mm . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 121.643 0.735 . . . . 0.0 111.104 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.421 HG22 HG21 ' A' ' 38' ' ' VAL . 11.8 pt -155.0 161.22 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.358 . . . . 0.0 111.135 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.43 ' CE1' ' O ' ' A' ' 43' ' ' TYR . 6.0 p90 -173.64 155.53 2.58 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.651 0.738 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.592 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 54.5 Cg_endo -69.75 167.03 25.6 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.655 2.237 . . . . 0.0 112.375 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.656 HD11 ' N ' ' A' ' 42' ' ' TRP . 2.1 mm -80.45 -61.65 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 58' ' ' ILE . 77.2 p -33.85 -45.33 0.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.592 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 17.2 m-85 -57.76 -54.5 46.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.949 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.47 ' O ' HG23 ' A' ' 61' ' ' VAL . 5.6 m -94.82 126.21 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.128 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -94.38 109.67 21.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 42.0 t -73.85 113.26 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.947 HD11 HG13 ' A' ' 11' ' ' ILE . 5.3 mp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.097 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -127.03 130.72 50.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.855 0.359 . . . . 0.0 110.897 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -118.82 167.38 11.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 40.5 mm -134.91 120.47 30.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.22 105.78 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.407 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 22.7 mmmt -74.81 -21.57 59.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' A' ' 13' ' ' LYS . 69.0 m-85 -150.65 152.51 34.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -68.74 113.46 6.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . 79.4 t80 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.853 0.359 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.4 tmm? -122.98 124.82 44.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 76.2 p -86.94 134.82 33.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.814 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.541 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 6.7 p90 -131.09 152.78 50.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.841 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -97.83 157.75 15.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -54.75 138.57 41.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.07 -38.96 3.14 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -47.12 138.43 6.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.896 0.379 . . . . 0.0 110.893 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -93.36 135.94 34.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.609 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 42.4 mt -112.58 103.82 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.168 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.3 m -63.86 87.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.9 mt -44.43 129.98 6.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.966 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 47.9 mt -115.54 -42.73 3.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -168.08 161.15 12.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.546 ' HG3' ' CD1' ' A' ' 43' ' ' TYR . 60.1 tt0 -102.17 111.1 23.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.538 HG23 ' HB2' ' A' ' 44' ' ' GLU . 46.1 t -70.15 -63.36 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.446 ' OD1' HG12 ' A' ' 38' ' ' VAL . 3.2 m-20 -119.22 176.96 5.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -69.13 -22.08 63.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.57 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 20.7 m120 -126.13 31.79 5.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.758 ' N ' HD11 ' A' ' 58' ' ' ILE . 67.7 m95 -155.62 117.11 3.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.958 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.623 ' CD2' HD12 ' A' ' 58' ' ' ILE . 23.8 m-85 -103.46 146.85 27.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.538 ' HB2' HG23 ' A' ' 38' ' ' VAL . 4.9 tp10 -102.53 146.12 28.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.867 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.44 169.09 40.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.469 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -125.96 166.31 17.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.744 0.307 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.0 mm . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 121.617 0.722 . . . . 0.0 111.137 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.486 HG22 HG21 ' A' ' 38' ' ' VAL . 29.8 pt -84.23 168.48 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.887 0.375 . . . . 0.0 111.14 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.609 ' CZ ' HG21 ' A' ' 32' ' ' ILE . 7.6 p90 -171.23 155.44 4.29 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.671 0.748 . . . . 0.0 110.857 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.583 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.3 Cg_endo -69.82 166.98 25.86 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.689 2.259 . . . . 0.0 112.329 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.758 HD11 ' N ' ' A' ' 42' ' ' TRP . 2.1 mm -80.5 -60.83 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 58' ' ' ILE . 29.2 p -34.3 -47.57 0.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.141 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.583 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 18.1 m-85 -55.31 -49.11 73.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 61' ' ' VAL . 14.2 m -102.41 121.34 53.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.161 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -89.99 109.13 20.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 91.0 t -69.55 145.61 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.051 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.1 mt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.066 179.955 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.422 ' N ' HD12 ' A' ' 34' ' ' LEU . 2.0 tp10 -147.14 150.68 35.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.845 0.355 . . . . 0.0 110.891 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -150.88 161.31 42.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.445 HG12 HD11 ' A' ' 64' ' ' ILE . 49.9 mm -123.02 130.22 74.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.084 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.27 93.37 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.1 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.3 mtmm -55.42 -24.84 32.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -147.4 175.05 11.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -86.54 143.03 27.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.1 t80 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.833 0.349 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 47.4 ttp -108.11 116.6 32.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 84.3 p -83.76 130.69 34.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -131.09 151.51 51.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -88.64 134.14 33.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.5 ttpp -50.89 121.05 5.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.57 -40.18 2.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.478 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -66.52 136.82 56.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.859 0.361 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.419 ' HA ' HD13 ' A' ' 11' ' ' ILE . 13.7 ptp180 -71.09 170.93 11.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.431 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 46.2 mt -139.29 109.02 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.1 m -64.02 93.33 0.09 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.422 HD12 ' N ' ' A' ' 9' ' ' GLU . 33.6 mt -54.18 134.2 44.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 58.0 mt -117.53 -42.12 2.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -171.57 157.35 4.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.423 ' CD ' ' CE1' ' A' ' 43' ' ' TYR . 57.2 tt0 -99.79 114.55 27.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.2 t -72.49 -67.95 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -110.84 -175.77 2.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.0 mp0 -76.74 -14.61 59.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.519 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 44.8 m-80 -134.13 33.32 3.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.631 ' N ' HD11 ' A' ' 58' ' ' ILE . 71.5 m95 -155.24 115.35 3.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.565 ' CD2' HD12 ' A' ' 58' ' ' ILE . 15.1 m-85 -100.18 155.79 17.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -117.23 141.59 48.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -173.28 178.19 45.35 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -123.96 168.46 12.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.319 . . . . 0.0 110.874 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.7 mm . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.638 0.732 . . . . 0.0 111.141 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 38.4 pt -123.15 169.92 13.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.895 0.379 . . . . 0.0 111.115 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.431 ' CZ ' HG21 ' A' ' 32' ' ' ILE . 11.5 p90 -171.9 155.27 3.73 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.609 0.719 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.525 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.5 Cg_endo -69.78 168.62 21.05 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.352 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.631 HD11 ' N ' ' A' ' 42' ' ' TRP . 1.8 mm -82.97 -58.71 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.074 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 58' ' ' ILE . 63.4 p -35.07 -38.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.525 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 11.8 m-85 -66.12 -49.43 67.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 58' ' ' ILE . 7.3 m -100.05 128.48 51.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.437 ' OD1' ' C ' ' A' ' 62' ' ' ASP . 8.4 t0 -97.75 114.85 26.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 71.2 t -60.03 140.27 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.445 HD11 HG12 ' A' ' 11' ' ' ILE . 59.0 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.444 -0.263 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -135.46 135.42 40.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 0.0 110.906 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -141.16 140.3 34.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.506 HD13 ' HA ' ' A' ' 31' ' ' ARG . 28.4 mm -113.24 133.12 60.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.083 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.27 111.18 3.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -84.29 -31.04 25.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -132.85 152.16 51.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -61.08 136.1 57.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.516 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . 46.0 t80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.851 0.358 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.431 ' HE3' HD11 ' A' ' 47' ' ' ILE . 41.8 ttp -130.57 81.87 2.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.9 m -51.3 123.04 8.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.894 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.516 ' CE1' ' HB2' ' A' ' 16' ' ' PHE . 5.7 p90 -135.92 160.5 38.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.865 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.8 ttp180 -109.08 147.23 32.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.853 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.1 ttpp -53.32 121.25 7.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.51 -51.36 0.82 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.536 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -59.31 135.91 57.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.806 0.336 . . . . 0.0 110.886 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.506 ' HA ' HD13 ' A' ' 11' ' ' ILE . 11.4 ptp180 -74.19 174.99 7.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.508 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 69.6 mt -146.75 111.67 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.8 m -68.84 82.49 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.4 mt -44.84 111.1 0.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.0 mt -91.33 -42.69 10.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -170.03 -177.17 2.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -120.44 117.31 27.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.9 t -78.21 -64.54 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -112.17 -176.84 3.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -77.83 -17.28 57.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.511 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 16.9 m-80 -130.15 31.27 4.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.547 ' N ' HD11 ' A' ' 58' ' ' ILE . 70.2 m95 -154.52 117.2 4.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.969 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.561 ' CD2' HD12 ' A' ' 58' ' ' ILE . 14.3 m-85 -100.74 152.34 20.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.885 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -110.92 144.02 40.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -174.63 169.63 42.62 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -124.79 171.44 10.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.805 0.336 . . . . 0.0 110.889 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.431 HD11 ' HE3' ' A' ' 24' ' ' MET . 25.5 mm . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.587 0.708 . . . . 0.0 111.133 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 30.7 pt -115.07 164.14 11.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.856 0.36 . . . . 0.0 111.117 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.508 ' CZ ' HG21 ' A' ' 32' ' ' ILE . 7.2 p90 -175.01 155.27 1.82 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.663 0.744 . . . . 0.0 110.868 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.462 ' HD3' ' CZ3' ' A' ' 42' ' ' TRP . 54.1 Cg_endo -69.7 174.47 9.4 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 2.243 . . . . 0.0 112.373 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.561 HD12 ' CD2' ' A' ' 43' ' ' TYR . 1.8 mm -86.52 -62.21 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.148 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 58' ' ' ILE . 73.3 p -34.16 -39.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -63.69 -49.25 73.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.477 ' O ' HG23 ' A' ' 61' ' ' VAL . 29.7 m -101.45 124.14 55.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -86.9 109.88 19.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 48.8 t -68.64 126.75 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.0 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.143 179.93 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -136.95 161.92 34.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.359 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -166.36 136.8 3.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.078 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.3 mm -110.6 128.78 66.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.23 99.49 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.3 mmmt -63.73 -29.71 70.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -135.67 178.33 7.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -92.22 137.61 32.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 61.1 t80 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.834 0.349 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.0 tmm? -95.36 127.33 41.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.8 m -98.17 137.96 36.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -130.19 168.08 17.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 ttp85 -105.86 144.96 31.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -58.62 95.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.5 41.05 0.64 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -128.54 148.82 50.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.808 0.337 . . . . 0.0 110.914 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -79.53 140.29 37.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.5 mt -125.93 100.35 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 19.4 m -67.44 91.64 0.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.2 mt -51.87 116.56 2.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.537 HD11 ' HD3' ' A' ' 46' ' ' ARG . 55.5 mt -99.2 -37.89 9.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -171.49 167.96 6.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -110.65 109.58 19.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.647 HG21 HG22 ' A' ' 55' ' ' ILE . 91.3 t -68.53 -64.45 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.074 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -115.1 167.82 10.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.849 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -62.77 -23.83 67.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.598 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 16.8 m120 -121.98 30.85 6.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.598 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 54.7 m95 -154.11 117.71 4.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.712 ' CD2' HD12 ' A' ' 58' ' ' ILE . 23.5 m-85 -99.26 149.45 23.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -106.52 151.57 24.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.46 168.75 32.71 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.478 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.537 ' HD3' HD11 ' A' ' 35' ' ' LEU . 14.6 ptt180 -123.26 -179.97 4.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.772 0.32 . . . . 0.0 110.852 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.9 mm . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.65 0.738 . . . . 0.0 111.125 179.953 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.647 HG22 HG21 ' A' ' 38' ' ' VAL . 21.5 pt -127.18 167.58 21.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.834 0.35 . . . . 0.0 111.152 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -175.01 155.12 1.8 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.626 0.727 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.539 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.9 Cg_endo -69.71 176.38 6.81 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.694 2.262 . . . . 0.0 112.309 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.712 HD12 ' CD2' ' A' ' 43' ' ' TYR . 4.5 mm -89.3 -60.4 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 58' ' ' ILE . 24.2 p -34.0 -47.81 0.28 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.539 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 21.1 m-85 -54.44 -54.33 42.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.508 ' O ' HG23 ' A' ' 61' ' ' VAL . 27.3 m -99.99 122.21 51.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.168 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.61 106.16 16.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.0 t -66.85 113.64 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.08 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.629 HD12 ' H ' ' A' ' 64' ' ' ILE . 5.3 mp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -162.96 142.18 8.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.879 0.371 . . . . 0.0 110.915 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -151.29 145.83 25.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.103 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.1 mm -116.61 131.26 69.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.67 90.4 0.4 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -58.11 -34.41 70.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -131.7 165.63 23.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -83.88 124.78 31.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.561 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . 57.4 t80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.838 0.351 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.1 tmm? -104.82 133.07 50.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 90.5 p -100.52 132.8 45.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.804 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.561 ' CE1' ' HB2' ' A' ' 16' ' ' PHE . 3.0 p90 -128.23 147.86 50.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -84.48 144.31 28.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -56.13 98.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.15 36.67 1.19 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.478 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -114.04 153.09 30.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.813 0.34 . . . . 0.0 110.925 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.467 ' CZ ' ' HB2' ' A' ' 31' ' ' ARG . 15.1 ttm105 -91.48 115.71 28.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.6 mt -109.58 110.01 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.2 m -64.66 105.03 0.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.475 HD11 HG23 ' A' ' 63' ' ' VAL . 37.0 mt -61.95 101.29 0.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.944 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.645 HD12 ' HA2' ' A' ' 45' ' ' GLY . 8.2 mt -86.09 -61.21 1.8 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.01 -175.03 4.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.634 ' CD ' ' CE1' ' A' ' 43' ' ' TYR . 62.1 tt0 -129.28 97.7 4.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.499 HG23 ' HB2' ' A' ' 44' ' ' GLU . 96.0 t -55.86 -61.78 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.6 157.29 26.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -48.8 -24.96 1.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.729 ' C ' HD11 ' A' ' 58' ' ' ILE . 4.9 m120 -123.64 35.31 4.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.891 ' N ' HD11 ' A' ' 58' ' ' ILE . 63.2 m95 -154.18 117.95 4.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.634 ' CE1' ' CD ' ' A' ' 37' ' ' GLN . 30.2 m-85 -107.27 128.79 54.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.499 ' HB2' HG23 ' A' ' 38' ' ' VAL . 23.6 tt0 -89.76 128.9 36.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.645 ' HA2' HD12 ' A' ' 35' ' ' LEU . . . -157.99 171.18 34.96 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -125.83 179.22 5.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.777 0.323 . . . . 0.0 110.838 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.2 mm . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.642 0.734 . . . . 0.0 111.099 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 32.8 pt -108.59 167.89 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 111.119 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.579 ' CE1' ' O ' ' A' ' 43' ' ' TYR . 5.6 p90 -174.94 156.13 1.98 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.609 0.718 . . . . 0.0 110.928 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.586 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.9 Cg_endo -69.77 155.93 64.65 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.622 2.215 . . . . 0.0 112.358 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.891 HD11 ' N ' ' A' ' 42' ' ' TRP . 2.6 mm -69.26 -62.06 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 58' ' ' ILE . 25.0 p -34.06 -53.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.586 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 9.6 m-85 -47.03 -56.2 6.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 61' ' ' VAL . 34.4 m -98.46 120.72 48.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.1 105.9 18.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.487 ' O ' HG13 ' A' ' 63' ' ' VAL . 8.0 p -72.87 119.65 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.2 mp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.169 179.922 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -136.49 159.74 40.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.887 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -163.54 145.65 9.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.3 mm -113.63 137.37 47.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.05 105.45 5.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -78.5 -22.98 46.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -141.99 147.05 36.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -66.02 135.94 55.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.497 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . 18.3 t80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.87 0.367 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 11.5 tmm? -126.96 124.74 40.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.2 m -87.32 126.77 35.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.497 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 29.3 p90 -129.15 154.6 46.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.3 ttt-85 -95.43 143.8 26.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -58.84 130.0 44.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 105.59 -41.29 2.2 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.439 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.44 138.98 58.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.816 0.341 . . . . 0.0 110.922 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -74.87 167.33 22.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 17.2 mt -137.76 108.17 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.458 HG21 ' NH2' ' A' ' 46' ' ' ARG . 23.3 m -64.46 94.64 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 42.2 mt -55.37 131.78 46.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.1 mt -113.36 -43.68 3.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -168.74 154.98 6.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -93.31 106.06 18.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.736 HG21 HG22 ' A' ' 55' ' ' ILE . 97.0 t -62.46 -59.43 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.143 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -128.13 -177.2 4.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -73.94 -13.32 60.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.496 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 30.9 m-80 -134.35 33.01 3.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.614 ' N ' HD11 ' A' ' 58' ' ' ILE . 88.5 m95 -158.52 115.03 2.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.572 ' CD2' HD12 ' A' ' 58' ' ' ILE . 14.5 m-85 -100.46 142.62 31.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.697 ' HB2' HG23 ' A' ' 38' ' ' VAL . 9.8 tt0 -103.91 145.76 29.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.67 171.89 44.15 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.512 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.458 ' NH2' HG21 ' A' ' 33' ' ' THR . 22.7 ptt85 -114.72 178.4 4.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.872 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 39.1 mm . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.594 0.711 . . . . 0.0 111.161 179.968 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.736 HG22 HG21 ' A' ' 38' ' ' VAL . 43.7 pt -116.03 165.46 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 111.148 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -164.54 155.07 12.83 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.623 0.725 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.588 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 54.2 Cg_endo -69.68 165.25 31.49 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.727 2.285 . . . . 0.0 112.332 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.614 HD11 ' N ' ' A' ' 42' ' ' TRP . 1.8 mm -80.49 -63.15 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 58' ' ' ILE . 24.9 p -33.95 -42.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.136 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.588 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 9.9 m-85 -57.11 -48.74 77.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 58' ' ' ILE . 11.7 m -99.84 143.38 13.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.159 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 62' ' ' ASP . 0.1 OUTLIER -104.57 112.42 25.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 88.7 t -74.04 129.24 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.8 mt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 179.93 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -150.45 143.2 24.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.884 0.374 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.623 ' HB2' HD11 ' A' ' 34' ' ' LEU . . . -138.56 174.44 10.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.505 HD13 ' HA ' ' A' ' 31' ' ' ARG . 20.5 mm -143.86 124.08 8.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.6 141.43 48.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.457 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 8.7 mtpt -119.46 -5.87 10.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.457 ' CD1' ' O ' ' A' ' 13' ' ' LYS . 61.3 m-85 -154.38 146.32 23.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -55.61 140.1 42.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.739 ' CD2' ' CE2' ' A' ' 26' ' ' PHE . 41.0 t80 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 . . . . . 0 CA--C 1.527 0.072 0 CA-C-O 120.794 0.331 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.472 ' HB2' ' N ' ' A' ' 54' ' ' GLY . 10.0 tmm? -90.4 127.3 36.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 87.1 p -84.52 141.74 30.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.739 ' CE2' ' CD2' ' A' ' 16' ' ' PHE . 18.8 p90 -143.2 166.18 25.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -120.17 135.82 54.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.433 ' HD3' ' C ' ' A' ' 13' ' ' LYS . 14.8 tptm -45.3 135.68 5.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.88 -21.97 38.66 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.457 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -83.66 132.67 34.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.505 ' HA ' HD13 ' A' ' 11' ' ' ILE . 15.4 ptt-85 -76.07 166.35 23.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 34' ' ' LEU . 15.7 mt -135.69 109.05 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 40.7 m -61.21 76.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.623 HD11 ' HB2' ' A' ' 10' ' ' ALA . 97.4 mt -46.14 113.65 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.6 mt -95.02 -41.45 9.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -168.79 158.57 9.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -95.76 102.0 13.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.824 HG23 ' HB2' ' A' ' 44' ' ' GLU . 73.3 t -57.6 -62.23 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.176 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -120.96 176.96 5.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -67.42 -20.62 65.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.543 ' C ' HD11 ' A' ' 58' ' ' ILE . 30.9 m-80 -129.11 31.95 4.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.64 ' N ' HD11 ' A' ' 58' ' ' ILE . 74.7 m95 -153.58 115.65 4.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.542 ' CD2' HD12 ' A' ' 58' ' ' ILE . 17.3 m-85 -100.65 137.83 38.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.824 ' HB2' HG23 ' A' ' 38' ' ' VAL . 7.9 tt0 -98.22 151.27 20.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 176.03 176.73 44.48 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.449 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.0 ptt180 -131.88 165.63 23.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.33 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.6 mm . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 121.568 0.699 . . . . 0.0 111.122 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.472 ' N ' ' HB2' ' A' ' 24' ' ' MET . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.735 HG22 HG21 ' A' ' 38' ' ' VAL . 28.9 pt -123.53 169.8 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 0.0 111.087 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.436 ' CZ ' ' O ' ' A' ' 43' ' ' TYR . 27.7 p90 -173.81 154.43 2.31 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.7 0.762 . . . . 0.0 110.858 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.588 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 54.0 Cg_endo -69.77 167.01 25.69 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.718 2.278 . . . . 0.0 112.296 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.64 HD11 ' N ' ' A' ' 42' ' ' TRP . 2.4 mm -81.32 -63.08 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 58' ' ' ILE . 45.1 p -33.36 -52.53 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.181 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.588 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 21.6 m-85 -47.65 -49.77 26.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' A' ' 58' ' ' ILE . 16.8 m -95.47 164.75 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.135 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -125.48 110.3 13.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.9 t -69.34 132.49 33.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.5 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 179.872 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -136.63 151.54 49.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -156.93 164.22 38.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.052 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.0 mt -132.9 137.05 54.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.08 94.67 0.9 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -54.21 -25.0 20.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -144.75 177.68 8.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -91.83 122.23 34.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . 82.4 t80 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.866 0.365 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.4 ttp -106.39 119.63 39.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 89.7 p -82.58 140.75 33.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 14.3 p90 -141.41 154.12 45.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -103.23 141.63 35.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.842 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.3 tttp -48.56 136.87 12.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.96 -36.39 3.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -58.83 146.2 38.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 -100.54 126.28 46.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.449 ' CD1' HG12 ' A' ' 61' ' ' VAL . 15.7 mt -96.13 118.12 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 34' ' ' LEU . 89.3 m -73.32 82.0 1.38 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 33' ' ' THR . 12.9 mt -35.18 144.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.9 mt -132.41 -46.46 0.9 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -165.48 158.74 16.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -97.52 110.08 22.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.781 HG23 ' HB2' ' A' ' 44' ' ' GLU . 58.7 t -72.23 -56.08 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.106 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -127.28 165.48 19.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -57.56 -28.6 63.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.443 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 83.0 m-20 -121.88 31.0 6.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.443 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 60.5 m95 -151.05 115.89 5.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.612 ' CD2' HD12 ' A' ' 58' ' ' ILE . 9.7 m-85 -99.25 143.41 29.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.781 ' HB2' HG23 ' A' ' 38' ' ' VAL . 4.6 tt0 -103.66 143.69 32.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.948 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -173.24 170.65 43.8 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -118.85 -176.73 3.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.837 0.351 . . . . 0.0 110.84 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 25.6 mm . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.633 0.73 . . . . 0.0 111.132 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.739 HG22 HG21 ' A' ' 38' ' ' VAL . 13.4 pt -131.22 168.06 24.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.879 0.371 . . . . 0.0 111.135 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -174.81 154.32 1.8 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.616 0.722 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.507 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 54.1 Cg_endo -69.71 173.75 10.46 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.612 HD12 ' CD2' ' A' ' 43' ' ' TYR . 2.6 mm -83.83 -61.07 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 58' ' ' ILE . 63.4 p -34.06 -54.43 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.507 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 16.6 m-85 -48.33 -52.54 21.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.871 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.449 HG12 ' CD1' ' A' ' 32' ' ' ILE . 34.2 m -88.14 164.72 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.69 106.12 7.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 62.6 t -61.31 127.51 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.188 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 47.0 mm . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.175 179.916 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -77.33 149.4 35.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.886 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -143.61 153.79 42.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.071 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.43 HG12 HD11 ' A' ' 64' ' ' ILE . 31.2 mm -117.77 135.63 57.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.47 88.12 6.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -57.09 -25.09 58.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -147.77 163.99 34.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -83.95 146.9 27.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.7 t80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.865 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.839 0.352 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.5 tmm? -97.25 127.61 43.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 85.2 p -94.61 155.06 17.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.7 p90 -153.78 158.94 41.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.401 ' C ' ' OE1' ' A' ' 30' ' ' GLU . 12.6 tpt180 -102.44 151.89 21.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -56.49 131.18 47.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.79 -40.01 2.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.401 ' OE1' ' C ' ' A' ' 27' ' ' ARG . 1.6 mp0 -43.76 167.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.875 0.369 . . . . 0.0 110.852 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.442 ' C ' HG13 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -101.3 161.65 13.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.856 -179.892 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.442 HG13 ' C ' ' A' ' 31' ' ' ARG . 79.7 mt -154.98 113.05 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.7 m -83.39 95.35 8.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.4 mt -53.26 134.0 39.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.3 mt -113.17 -43.38 3.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.953 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 36' ' ' ARG . 3.4 ptp180 -161.39 179.96 7.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -120.35 106.57 11.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.773 HG21 HG22 ' A' ' 55' ' ' ILE . 61.5 t -67.22 -58.26 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -125.25 161.97 25.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -56.81 -24.56 51.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.489 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 21.2 m-80 -121.4 30.77 6.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.489 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 76.0 m95 -155.19 116.05 3.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.816 ' CD2' HD12 ' A' ' 58' ' ' ILE . 17.2 m-85 -98.88 146.54 25.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.597 ' HB2' HG23 ' A' ' 38' ' ' VAL . 19.7 tt0 -105.54 148.65 27.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -179.45 169.27 40.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.515 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -114.51 -177.44 3.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.2 mm . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.668 0.747 . . . . 0.0 111.13 179.961 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.773 HG22 HG21 ' A' ' 38' ' ' VAL . 37.2 pt -127.08 168.4 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.328 . . . . 0.0 111.185 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 16.7 p90 -169.43 155.54 6.12 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.662 0.744 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.505 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 54.2 Cg_endo -69.69 167.75 23.43 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.24 . . . . 0.0 112.376 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.816 HD12 ' CD2' ' A' ' 43' ' ' TYR . 5.7 mm -85.8 -58.83 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.083 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.0 p -38.29 -31.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.505 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 9.7 m-85 -71.02 -48.88 50.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.429 ' O ' HG23 ' A' ' 61' ' ' VAL . 34.0 m -112.09 126.8 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.129 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.28 105.33 17.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.6 p -68.81 127.16 30.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.43 HD11 HG12 ' A' ' 11' ' ' ILE . 5.2 mp . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -115.97 139.48 50.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.85 0.357 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -140.46 164.36 30.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.9 mm -132.84 127.97 56.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.116 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 27' ' ' ARG . . . -64.8 100.38 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.139 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.557 ' O ' ' CD2' ' A' ' 14' ' ' PHE . 1.5 mmmm -68.04 -11.49 59.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.557 ' CD2' ' O ' ' A' ' 13' ' ' LYS . 82.9 m-85 -162.54 159.42 24.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -70.81 150.42 45.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.0 t80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.97 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.874 0.369 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.5 ttp -100.45 110.85 23.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.4 t -72.52 158.1 36.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -161.7 157.47 24.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.478 ' O ' ' CB ' ' A' ' 12' ' ' ALA . 31.3 mtm-85 -96.66 -178.67 4.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.4 tttt -81.89 127.27 32.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.21 -28.19 12.68 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.484 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -48.78 151.55 1.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.814 0.34 . . . . 0.0 110.921 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.429 ' C ' HG13 ' A' ' 32' ' ' ILE . 14.1 mtp180 -85.75 158.93 19.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.429 HG13 ' C ' ' A' ' 31' ' ' ARG . 86.3 mt -154.22 106.1 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 85.5 m -72.24 106.16 4.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 28.2 mt -59.18 109.49 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.75 HD11 ' HE ' ' A' ' 46' ' ' ARG . 25.6 mt -87.86 -45.41 10.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -168.54 161.63 11.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -99.64 99.65 10.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.689 HG23 ' HB2' ' A' ' 44' ' ' GLU . 85.6 t -62.13 -59.35 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.087 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -124.78 171.62 9.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -64.44 -23.65 67.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.414 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 3.6 m-80 -123.7 29.93 6.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.486 ' N ' HD11 ' A' ' 58' ' ' ILE . 69.4 m95 -151.97 119.49 6.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.942 ' CD2' HD12 ' A' ' 58' ' ' ILE . 8.9 m-85 -106.67 134.63 49.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.689 ' HB2' HG23 ' A' ' 38' ' ' VAL . 32.3 tt0 -96.4 157.33 15.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.449 ' N ' ' HG2' ' A' ' 44' ' ' GLU . . . 171.27 175.46 39.73 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.476 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.75 ' HE ' HD11 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -120.29 -179.16 3.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.813 0.34 . . . . 0.0 110.867 -179.85 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.9 mm . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 121.609 0.719 . . . . 0.0 111.145 179.968 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.644 HG22 HG21 ' A' ' 38' ' ' VAL . 15.0 pt -117.0 169.79 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.913 0.387 . . . . 0.0 111.087 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.594 ' CE1' ' O ' ' A' ' 43' ' ' TYR . 16.2 p90 -174.13 153.78 2.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.691 0.757 . . . . 0.0 110.872 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.489 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.7 Cg_endo -69.79 166.93 25.97 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.642 2.228 . . . . 0.0 112.355 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.942 HD12 ' CD2' ' A' ' 43' ' ' TYR . 3.9 mm -84.22 -60.3 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 58' ' ' ILE . 24.4 p -34.75 -39.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.489 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 15.2 m-85 -63.43 -47.03 83.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' A' ' 58' ' ' ILE . 34.5 m -107.73 121.97 61.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.151 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -88.28 121.68 30.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 98.2 t -80.26 119.47 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 56.4 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.925 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -117.92 159.7 22.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.929 0.395 . . . . 0.0 110.843 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.27 156.9 29.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.063 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.531 HD13 ' HA ' ' A' ' 31' ' ' ARG . 44.5 mm -129.25 130.92 67.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.28 117.35 11.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -75.53 -36.53 60.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -134.24 -176.36 4.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -94.41 128.51 41.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.558 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . 29.7 t80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.859 0.361 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.9 tmm? -131.36 138.47 49.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.6 p -101.64 124.93 48.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 16' ' ' PHE . 2.2 p90 -124.19 148.16 47.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -87.29 138.35 31.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -56.47 99.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 134.14 -36.41 2.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.505 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -71.91 133.14 45.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.369 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.531 ' HA ' HD13 ' A' ' 11' ' ' ILE . 28.3 ptt180 -65.59 171.98 3.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.602 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 18.1 mt -136.34 107.44 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.183 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.1 m -62.36 91.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.161 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 44.2 mt -53.69 104.64 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.446 HD21 ' NH1' ' A' ' 46' ' ' ARG . 18.2 mt -86.55 -43.66 12.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -169.61 166.12 10.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -103.65 104.75 14.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.774 HG21 HG22 ' A' ' 55' ' ' ILE . 53.2 t -62.84 -62.61 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.1 174.89 7.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -64.53 -18.4 64.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.589 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 25.1 m-80 -131.47 39.07 3.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.589 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 74.9 m95 -159.15 110.6 2.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.556 ' CD2' HD12 ' A' ' 58' ' ' ILE . 13.8 m-85 -95.51 141.8 28.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.473 ' HB2' HG23 ' A' ' 38' ' ' VAL . 22.8 tt0 -101.73 141.88 33.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 177.91 162.23 27.51 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.471 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.446 ' NH1' HD21 ' A' ' 35' ' ' LEU . 7.0 ptp85 -123.22 176.67 5.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 110.855 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.4 mm . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.628 0.727 . . . . 0.0 111.127 179.984 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.774 HG22 HG21 ' A' ' 38' ' ' VAL . 32.2 pt -126.92 169.38 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.891 0.377 . . . . 0.0 111.121 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.602 ' CZ ' HG21 ' A' ' 32' ' ' ILE . 16.7 p90 -175.04 155.02 1.78 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.603 0.715 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.595 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.6 Cg_endo -69.79 165.38 31.2 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.664 2.242 . . . . 0.0 112.356 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.556 HD12 ' CD2' ' A' ' 43' ' ' TYR . 3.0 mm -75.38 -62.91 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 58' ' ' ILE . 36.7 p -33.44 -50.74 0.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.168 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.595 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 8.8 m-85 -49.19 -47.69 45.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 58' ' ' ILE . 22.2 m -96.75 157.07 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.132 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.89 115.27 22.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.0 t -75.11 133.43 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 48.0 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 179.922 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -70.56 -55.58 8.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.895 0.379 . . . . 0.0 110.845 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.7 m -121.14 129.64 53.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.823 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.57 110.82 2.31 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.1 p -162.19 149.85 14.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.82 0.343 . . . . 0.0 110.873 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t -99.4 154.0 18.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.36 -98.75 0.25 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.493 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 163.23 -167.2 37.42 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.487 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -130.18 150.14 51.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.903 0.382 . . . . 0.0 110.846 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -146.57 167.85 22.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.077 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.8 mm -132.86 125.53 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.98 99.5 0.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -60.77 -24.6 65.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -147.61 -179.09 6.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -91.3 140.85 29.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.441 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . 31.0 t80 -115.24 136.28 53.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.823 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.425 ' CG ' ' O ' ' A' ' 17' ' ' ASN . 6.2 p30 -120.69 88.43 2.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.41 145.69 32.1 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.533 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -106.49 -35.82 6.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 0.0 110.823 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 50.1 p -99.14 147.57 24.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -50.74 -43.41 58.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 98.5 t -49.05 -41.32 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.113 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -80.39 153.03 28.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -124.4 138.72 54.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 89.1 p -100.71 141.15 33.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.441 ' CE1' ' HB2' ' A' ' 16' ' ' PHE . 4.5 p90 -139.24 149.03 43.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.403 ' HB3' ' CG ' ' A' ' 30' ' ' GLU . 68.1 ttt180 -91.55 143.68 26.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.3 tttp -51.73 118.96 3.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.43 -32.72 7.04 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.445 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.403 ' CG ' ' HB3' ' A' ' 27' ' ' ARG . 32.9 mm-40 -51.51 145.04 9.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.79 0.328 . . . . 0.0 110.908 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -86.01 122.11 29.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.415 HG12 HD11 ' A' ' 47' ' ' ILE . 33.3 mt -102.31 103.08 14.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.9 m -65.16 90.66 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 52.9 mt -52.35 127.6 22.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.958 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.5 mt -111.15 -51.09 2.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -163.13 155.75 18.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.5 ' CD ' ' CE1' ' A' ' 43' ' ' TYR . 59.8 tt0 -95.31 115.77 27.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.671 HG21 HG22 ' A' ' 55' ' ' ILE . 94.2 t -69.65 -65.48 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -118.84 -175.41 2.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -71.83 -21.18 61.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.551 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 57.1 m-20 -129.74 37.8 3.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.721 ' N ' HD11 ' A' ' 58' ' ' ILE . 82.3 m95 -158.37 115.62 2.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.629 ' CD2' HD12 ' A' ' 58' ' ' ILE . 10.2 m-85 -102.78 147.06 27.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.938 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.407 ' HB2' HG23 ' A' ' 38' ' ' VAL . 6.9 tt0 -105.96 150.31 25.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 175.94 165.57 32.02 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.496 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.0 ptt85 -114.17 174.23 6.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.329 . . . . 0.0 110.862 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.651 HG23 ' HD2' ' A' ' 48' ' ' PRO . 48.9 mm -123.19 138.51 30.01 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.673 0.749 . . . . 0.0 111.128 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.651 ' HD2' HG23 ' A' ' 47' ' ' ILE . 53.7 Cg_endo -69.74 128.36 15.93 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.716 2.277 . . . . 0.0 112.344 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.42 -34.35 5.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.461 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 41.6 p -105.55 -10.01 17.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.789 0.328 . . . . 0.0 111.153 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.8 m 40.77 34.32 0.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 -79.35 165.4 23.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -154.24 138.31 16.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 177.62 -149.94 9.67 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.671 HG22 HG21 ' A' ' 38' ' ' VAL . 11.1 pt -125.55 168.53 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 0.0 111.131 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -172.8 155.77 3.12 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.684 0.754 . . . . 0.0 110.859 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.587 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.4 Cg_endo -69.82 163.74 37.18 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.721 HD11 ' N ' ' A' ' 42' ' ' TRP . 2.0 mm -78.04 -63.27 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.144 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 58' ' ' ILE . 1.6 p -34.07 -37.76 0.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.587 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 7.5 m-85 -62.01 -51.39 68.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 58' ' ' ILE . 4.1 m -102.21 136.81 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.156 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -108.64 106.73 16.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.1 p -77.64 143.21 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.556 ' N ' HD12 ' A' ' 64' ' ' ILE . 4.1 mp -85.06 -43.25 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.4 t -69.44 92.87 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -164.95 -158.98 10.81 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.468 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 175.89 7.51 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.731 2.288 . . . . 0.0 112.337 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.5 t -90.82 135.28 33.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.834 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.8 t -145.19 140.79 28.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.487 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.1 p -161.87 135.18 6.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 110.854 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.7 m -99.81 97.21 8.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.18 128.92 4.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.506 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 t -85.9 98.98 11.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 0.0 110.857 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 m -75.22 -44.62 45.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.837 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.62 -88.24 1.36 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.522 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 173.62 -159.43 29.22 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -146.73 131.56 18.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.886 0.374 . . . . 0.0 110.895 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -132.24 147.43 52.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.8 mm -111.44 129.39 66.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.6 91.51 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.044 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -51.61 -40.88 60.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -133.9 178.83 6.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -89.7 137.02 32.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -112.78 133.95 54.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -116.33 81.99 1.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.54 122.35 14.39 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -78.47 -41.58 32.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.864 0.364 . . . . 0.0 110.849 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.3 p -81.29 158.95 24.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.119 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.436 ' HG3' ' N ' ' A' ' 22' ' ' VAL . 27.6 pt20 -65.73 -44.73 85.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.436 ' N ' ' HG3' ' A' ' 21' ' ' GLN . 6.7 p -52.44 -41.59 36.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.111 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -65.94 128.71 37.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 31.4 ttp -99.27 99.76 10.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.1 p -67.61 148.75 50.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -149.81 162.68 39.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.9 mtm180 -104.8 159.21 15.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -60.68 144.54 51.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.0 -38.98 3.13 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.526 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -43.85 157.52 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -114.86 118.81 34.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.578 HG12 HD11 ' A' ' 47' ' ' ILE . 46.6 mt -100.43 114.72 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 37.1 m -69.14 86.5 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.1 mt -42.9 137.82 2.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.962 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 53.7 mt -124.53 -49.36 1.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -158.75 173.24 16.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -118.01 108.22 14.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.0 t -65.94 -69.82 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -106.75 -179.5 3.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -76.29 -12.46 60.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.526 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 12.3 m-80 -133.85 33.05 3.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.526 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 69.3 m95 -154.83 117.35 4.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.814 ' CD2' HD12 ' A' ' 58' ' ' ILE . 9.6 m-85 -99.15 145.88 26.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -105.91 157.24 17.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 172.83 175.43 40.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.45 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -127.59 173.31 9.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.788 0.328 . . . . 0.0 110.874 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.623 HG23 ' HD2' ' A' ' 48' ' ' PRO . 49.2 mm -122.99 138.1 29.2 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.58 0.705 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.623 ' HD2' HG23 ' A' ' 47' ' ' ILE . 53.9 Cg_endo -69.78 138.14 37.08 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.697 2.265 . . . . 0.0 112.329 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.56 -39.67 3.11 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.461 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.9 p -96.99 -23.3 16.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.821 0.343 . . . . 0.0 111.124 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 72.1 m 50.29 40.2 21.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 45.4 mtp180 -95.06 129.7 42.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -118.59 138.16 52.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -169.27 -144.82 4.38 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.447 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 27.0 pt -134.98 163.3 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.915 0.388 . . . . 0.0 111.145 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -169.04 154.85 6.23 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.607 0.718 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.444 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.6 Cg_endo -69.78 177.0 6.03 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.634 2.222 . . . . 0.0 112.375 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.814 HD12 ' CD2' ' A' ' 43' ' ' TYR . 4.1 mm -90.57 -60.35 2.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 58' ' ' ILE . 57.7 p -34.36 -46.53 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.444 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 21.1 m-85 -57.03 -53.46 57.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.53 ' O ' HG23 ' A' ' 61' ' ' VAL . 25.9 m -103.6 120.94 54.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.088 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.83 105.41 17.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.5 p -74.84 131.66 34.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.4 ' H ' HD12 ' A' ' 64' ' ' ILE . 4.9 mp -89.13 -48.15 14.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.6 t -74.52 115.77 14.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -176.66 146.23 7.82 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.513 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 91.78 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.689 2.259 . . . . 0.0 112.335 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 88.2 p -77.39 133.09 38.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -120.73 15.34 11.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.82 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.467 -179.954 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -40.43 159.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.857 0.361 . . . . 0.0 110.855 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.4 p -172.47 151.29 2.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.54 -91.95 1.4 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.519 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t -132.6 134.79 45.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.926 0.393 . . . . 0.0 110.793 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.6 p -91.64 -48.7 6.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.892 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.48 -87.42 0.7 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -175.87 175.41 47.33 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.515 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -124.12 154.9 39.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.829 0.347 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -143.28 162.35 35.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.578 HG12 HD11 ' A' ' 64' ' ' ILE . 49.3 mm -124.83 118.91 54.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.533 ' HA ' HG12 ' A' ' 61' ' ' VAL . . . -66.66 91.98 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -55.33 -33.7 63.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -142.65 144.81 32.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.469 ' ND2' ' HA ' ' A' ' 27' ' ' ARG . 24.0 t-20 -63.8 125.13 23.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.867 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.536 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . 89.2 t80 -95.88 131.27 42.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -99.99 82.78 2.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.26 133.18 21.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.55 -38.34 5.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.878 0.37 . . . . 0.0 110.85 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.6 p -95.09 148.66 22.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -50.49 -57.78 7.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.474 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 17.0 m -38.99 -42.92 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.154 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.408 ' N ' HG23 ' A' ' 22' ' ' VAL . 67.9 mt-10 -80.56 141.04 35.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 12.2 tmm? -110.86 133.77 53.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 96.4 p -93.58 135.93 34.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.601 ' CG ' HD11 ' A' ' 32' ' ' ILE . 9.1 p90 -133.48 156.54 47.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.469 ' HA ' ' ND2' ' A' ' 15' ' ' ASN . 11.9 ttt180 -95.76 148.76 22.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -54.9 111.67 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.18 -35.27 4.94 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -42.29 156.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -106.07 109.99 22.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.601 HD11 ' CG ' ' A' ' 26' ' ' PHE . 74.6 mt -93.21 110.34 23.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 48.3 m -63.88 92.74 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.087 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 44' ' ' GLU . 13.4 mt -52.48 118.49 3.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.1 mt -99.41 -41.5 7.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -169.96 174.64 5.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -114.85 102.78 10.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.7 t -63.4 -68.26 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -109.49 163.21 13.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -60.48 -21.12 62.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.565 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 2.3 m-80 -124.5 33.84 5.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.565 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 70.2 m95 -156.35 118.4 3.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.766 ' CD2' HD12 ' A' ' 58' ' ' ILE . 19.3 m-85 -102.03 140.9 35.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.422 ' O ' HD23 ' A' ' 34' ' ' LEU . 28.9 tt0 -98.69 157.44 16.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 174.7 162.3 25.99 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -121.22 171.01 9.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.787 0.327 . . . . 0.0 110.888 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.652 HG23 ' HD2' ' A' ' 48' ' ' PRO . 48.5 mm -118.82 138.53 26.1 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.602 0.715 . . . . 0.0 111.172 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.652 ' HD2' HG23 ' A' ' 47' ' ' ILE . 54.3 Cg_endo -69.71 130.13 18.85 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.725 2.283 . . . . 0.0 112.379 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.61 -37.03 3.57 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.517 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.6 p -103.87 -20.14 14.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.782 0.325 . . . . 0.0 111.15 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 t 48.08 40.48 13.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 24.5 mtt85 -84.84 112.01 20.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -102.67 124.73 48.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.474 ' CA ' ' O ' ' A' ' 22' ' ' VAL . . . -162.83 -159.49 10.44 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.496 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 23.4 pt -123.81 168.74 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.874 0.369 . . . . 0.0 111.146 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.559 ' CE1' HG21 ' A' ' 61' ' ' VAL . 15.8 p90 -172.93 154.84 2.85 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.63 0.728 . . . . 0.0 110.893 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.558 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.6 Cg_endo -69.73 176.98 6.03 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.693 2.262 . . . . 0.0 112.348 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.766 HD12 ' CD2' ' A' ' 43' ' ' TYR . 4.4 mm -90.44 -60.65 2.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 58' ' ' ILE . 60.9 p -36.09 -30.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.12 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.558 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 11.6 m-85 -72.33 -48.29 43.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.933 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.559 HG21 ' CE1' ' A' ' 56' ' ' PHE . 5.8 m -111.47 136.63 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.113 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -107.07 111.59 24.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.8 p -78.47 136.71 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.137 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.578 HD11 HG12 ' A' ' 11' ' ' ILE . 5.2 mp -86.39 -45.53 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.3 t -60.74 115.59 3.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 125.48 -162.4 19.75 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.447 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.87 97.49 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.647 2.231 . . . . 0.0 112.352 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 93.7 p -137.39 118.89 14.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.8 t -65.41 133.63 51.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.518 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -55.49 111.5 0.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.902 0.382 . . . . 0.0 110.855 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.0 t -48.04 -57.51 5.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.82 -66.35 3.13 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.457 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -96.16 90.56 5.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.907 0.385 . . . . 0.0 110.906 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.6 p -114.29 104.32 11.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.822 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.8 -75.63 0.49 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.465 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -155.41 -178.41 29.62 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -134.32 129.04 34.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.876 0.369 . . . . 0.0 110.867 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -131.57 151.42 51.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.7 mm -123.75 124.34 69.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.115 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.57 101.03 0.73 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -67.8 -20.65 65.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -145.37 170.16 16.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -86.89 135.01 33.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -111.82 128.78 56.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -115.89 79.55 1.32 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.46 127.96 26.83 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -80.6 -42.76 21.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.872 0.367 . . . . 0.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.0 p -87.94 149.58 23.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.186 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -56.16 -47.9 77.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.2 p -46.29 -29.16 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -85.66 129.43 34.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 31.7 ttp -94.36 118.3 31.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.9 p -84.89 147.65 26.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -151.92 159.13 43.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -104.57 149.47 25.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -50.71 147.95 4.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.28 -40.07 3.01 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -47.05 158.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.2 ttm180 -114.6 128.72 56.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.517 HD12 HG11 ' A' ' 61' ' ' VAL . 69.6 mt -108.63 110.55 32.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 47.5 m -62.25 91.33 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.2 mt -42.39 135.99 2.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.767 HD12 ' HA2' ' A' ' 45' ' ' GLY . 11.2 mt -123.34 -55.62 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -155.46 -177.44 6.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -120.53 102.23 8.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.609 HG21 HG22 ' A' ' 55' ' ' ILE . 55.8 t -63.84 -67.28 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -112.21 168.0 9.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -62.81 -15.59 54.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.599 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 16.1 m-80 -133.35 33.42 3.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 59.2 m95 -154.87 115.69 3.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.607 ' CD2' HD12 ' A' ' 58' ' ' ILE . 28.7 m-85 -98.1 144.63 27.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.97 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.585 ' HB2' HG23 ' A' ' 38' ' ' VAL . 7.8 tm-20 -101.34 148.7 24.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.767 ' HA2' HD12 ' A' ' 35' ' ' LEU . . . -174.91 171.62 44.75 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.551 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.9 ptt85 -122.62 177.2 5.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.357 . . . . 0.0 110.849 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.624 HG23 ' HD2' ' A' ' 48' ' ' PRO . 28.8 mm -114.54 138.19 23.04 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.641 0.734 . . . . 0.0 111.155 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.624 ' HD2' HG23 ' A' ' 47' ' ' ILE . 53.5 Cg_endo -69.78 136.56 33.23 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.656 2.237 . . . . 0.0 112.355 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 97.02 -39.71 2.72 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 51.6 p -116.78 -179.77 3.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.767 0.318 . . . . 0.0 111.151 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.0 t -117.07 48.56 1.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.7 mtp-105 -99.46 122.46 42.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -135.44 159.25 42.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 177.86 -126.29 1.07 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.465 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.609 HG22 HG21 ' A' ' 38' ' ' VAL . 24.3 pt -147.11 168.42 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.363 . . . . 0.0 111.138 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.455 ' CE1' HG21 ' A' ' 61' ' ' VAL . 17.9 p90 -173.71 154.22 2.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.683 0.754 . . . . 0.0 110.877 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.594 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.6 Cg_endo -69.79 176.69 6.45 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.689 2.259 . . . . 0.0 112.308 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.607 HD12 ' CD2' ' A' ' 43' ' ' TYR . 4.9 mm -86.05 -61.59 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.111 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 58' ' ' ILE . 35.1 p -34.77 -48.02 0.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.594 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 17.8 m-85 -54.0 -55.91 22.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.517 HG11 HD12 ' A' ' 32' ' ' ILE . 30.5 m -98.2 121.22 48.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.093 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -90.69 111.58 22.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.6 t -73.68 121.35 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.428 HD12 ' H ' ' A' ' 64' ' ' ILE . 4.9 mp -74.01 -61.0 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 96.5 p -46.54 -28.81 1.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.83 -158.17 30.19 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.472 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 93.76 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.644 2.229 . . . . 0.0 112.33 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.1 m -76.68 111.49 12.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 80.0 p -108.17 97.89 7.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.501 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.9 m -139.26 165.5 27.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.876 0.37 . . . . 0.0 110.808 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -103.44 87.45 2.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.865 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.76 139.82 0.13 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.515 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.7 p -54.94 166.05 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.857 0.361 . . . . 0.0 110.877 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.2 t -78.26 125.19 29.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.826 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.41 -86.38 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.431 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 173.48 178.3 43.34 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -137.21 138.65 40.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.33 . . . . 0.0 110.931 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -146.06 168.66 20.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.2 mm -130.86 131.87 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.7 104.99 2.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.065 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.474 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 26.8 mtpp -68.48 -18.38 64.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.474 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 96.9 m-85 -159.83 172.84 16.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -80.95 136.94 36.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.535 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . 13.4 t80 -121.51 85.54 2.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -77.65 81.54 4.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.06 161.62 49.63 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.444 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -111.22 -51.82 2.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.862 0.363 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.8 p -74.56 131.74 41.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.158 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -40.05 -51.33 2.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.4 t -45.28 -41.11 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -77.5 121.39 23.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.1 tmm? -94.7 135.71 35.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.6 t -95.97 154.16 17.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.535 ' CE1' ' HB2' ' A' ' 16' ' ' PHE . 2.4 p90 -148.83 153.75 38.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 -102.28 137.63 40.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.0 ttpt -41.56 123.3 2.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.59 -42.56 1.87 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -44.26 149.32 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.341 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -91.01 144.79 25.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.829 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.601 HD13 HG11 ' A' ' 61' ' ' VAL . 26.2 mt -125.86 108.66 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.3 m -75.08 90.34 2.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 72.2 mt -49.01 130.34 18.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 30.7 mt -115.21 -50.08 2.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -156.88 161.6 39.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -109.01 98.8 8.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 80.9 t -58.54 -63.83 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -114.82 173.47 6.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.816 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -69.65 -17.6 63.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.511 ' C ' HD11 ' A' ' 58' ' ' ILE . 30.0 m120 -127.45 27.63 5.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.689 ' N ' HD11 ' A' ' 58' ' ' ILE . 55.5 m95 -149.51 120.89 7.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.654 ' CD2' HD12 ' A' ' 58' ' ' ILE . 10.4 m-85 -107.4 131.68 54.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -99.42 135.51 40.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -166.69 174.75 42.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.524 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.7 ptt-85 -123.95 178.24 5.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 110.885 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.681 HG23 ' HD2' ' A' ' 48' ' ' PRO . 24.8 mm -114.54 138.59 23.23 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.61 0.719 . . . . 0.0 111.149 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.681 ' HD2' HG23 ' A' ' 47' ' ' ILE . 54.5 Cg_endo -69.72 118.27 5.58 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.682 2.255 . . . . 0.0 112.356 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.55 -47.83 1.0 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.4 p -101.04 178.24 4.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.795 0.331 . . . . 0.0 111.144 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.5 m -108.62 42.53 1.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.824 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -95.78 104.38 16.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.494 ' OE1' ' N ' ' A' ' 54' ' ' GLY . 1.0 OUTLIER -138.32 139.16 38.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.971 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.494 ' N ' ' OE1' ' A' ' 53' ' ' GLN . . . 177.67 -149.08 9.06 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.526 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 35.0 pt -110.0 165.1 5.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.888 0.375 . . . . 0.0 111.13 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.488 ' CZ ' ' O ' ' A' ' 43' ' ' TYR . 17.1 p90 -174.88 154.76 1.82 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.655 0.74 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.545 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.7 Cg_endo -69.73 161.01 47.58 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.664 2.243 . . . . 0.0 112.381 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.689 HD11 ' N ' ' A' ' 42' ' ' TRP . 1.5 mm -79.14 -62.18 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.155 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 58' ' ' ILE . 32.4 p -34.06 -35.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.175 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.545 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 8.8 m-85 -65.08 -53.93 37.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.601 HG11 HD13 ' A' ' 32' ' ' ILE . 35.2 m -94.64 150.68 3.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.169 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.82 105.5 12.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.0 p -83.53 128.79 38.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.44 HD12 ' H ' ' A' ' 64' ' ' ILE . 4.9 mp -87.18 -69.55 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.166 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.9 t -64.11 97.19 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 173.34 -96.85 0.11 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.453 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -1.9 9.25 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.657 2.238 . . . . 0.0 112.356 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.0 t -84.54 133.41 34.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.4 m -70.05 104.76 2.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 3' ' ' SER . 40.2 m -87.4 111.62 21.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.881 0.372 . . . . 0.0 110.829 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 2' ' ' SER . 22.7 t -38.26 126.02 1.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.58 -175.51 8.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.461 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t 56.03 40.47 30.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.885 0.374 . . . . 0.0 110.88 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.1 p -60.92 152.29 27.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.72 73.24 0.23 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -132.69 130.47 5.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.495 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -125.58 -175.05 3.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.888 0.375 . . . . 0.0 110.896 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -172.0 148.87 2.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.073 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.421 HD11 ' HD2' ' A' ' 31' ' ' ARG . 20.5 mm -117.29 127.22 74.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.512 ' HB1' ' CD1' ' A' ' 26' ' ' PHE . . . -69.72 106.19 3.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -57.99 -33.28 68.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -142.0 179.94 6.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -84.6 148.85 26.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . 85.8 t80 -127.63 156.99 41.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -131.05 107.03 8.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.23 105.48 1.92 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.509 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -65.33 -37.1 86.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.889 0.376 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.4 p -110.85 170.61 7.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.089 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -69.47 -41.56 76.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.419 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 3.3 p -57.06 -20.0 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -94.6 140.85 29.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 8.3 tmm? -109.28 140.9 42.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.2 p -100.76 141.95 32.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.512 ' CD1' ' HB1' ' A' ' 12' ' ' ALA . 13.6 p90 -133.73 158.26 43.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.404 ' HB2' ' CD ' ' A' ' 30' ' ' GLU . 2.8 mpt_? -100.21 151.86 20.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.1 ttpt -64.19 106.25 1.04 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 105.52 35.71 3.01 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.486 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.404 ' CD ' ' HB2' ' A' ' 27' ' ' ARG . 18.0 mt-10 -119.81 162.38 19.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.815 0.341 . . . . 0.0 110.914 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.421 ' HD2' HD11 ' A' ' 11' ' ' ILE . 1.9 tpt180 -93.67 147.0 23.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 85.1 mt -130.87 109.75 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.178 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 83.7 m -69.53 95.57 0.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 mt -58.56 125.95 25.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.1 mt -113.46 -35.95 5.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -173.29 173.52 3.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -117.9 105.62 12.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.477 HG23 ' HB2' ' A' ' 44' ' ' GLU . 79.4 t -65.3 -61.26 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -117.14 164.07 15.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -64.21 -13.03 46.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -130.32 20.11 5.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 60.1 m95 -144.02 118.86 9.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.806 ' CD2' HD12 ' A' ' 58' ' ' ILE . 7.1 m-85 -99.68 145.35 27.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.477 ' HB2' HG23 ' A' ' 38' ' ' VAL . 13.2 tt0 -109.71 140.19 43.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.877 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -172.36 170.37 43.41 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -122.19 163.22 19.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.831 0.348 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.663 HG23 ' HD2' ' A' ' 48' ' ' PRO . 11.4 mm -111.66 138.6 21.57 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.621 0.724 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.663 ' HD2' HG23 ' A' ' 47' ' ' ILE . 53.9 Cg_endo -69.68 124.35 11.03 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.659 2.239 . . . . 0.0 112.355 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 102.27 -42.5 1.89 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.505 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 51' ' ' SER . 32.7 p -99.01 -7.43 26.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.815 0.341 . . . . 0.0 111.184 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 50' ' ' THR . 11.9 m 36.9 37.27 0.06 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 44.9 mtp180 -85.75 124.49 32.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -115.78 148.5 39.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.953 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.419 ' CA ' ' O ' ' A' ' 22' ' ' VAL . . . 173.44 -150.38 12.04 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.517 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.6 pt -128.02 163.63 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 111.151 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -170.13 154.15 4.9 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.632 0.73 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.527 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.7 Cg_endo -69.75 173.4 11.03 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.391 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.806 HD12 ' CD2' ' A' ' 43' ' ' TYR . 2.8 mm -90.0 -61.35 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.101 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 58' ' ' ILE . 24.9 p -34.09 -38.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.527 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 12.9 m-85 -62.27 -52.87 61.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.955 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.415 ' N ' ' O ' ' A' ' 58' ' ' ILE . 18.0 m -97.52 137.1 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.163 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.18 109.36 21.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 71.6 t -73.42 138.0 22.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.096 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.445 HD12 ' H ' ' A' ' 64' ' ' ILE . 4.6 mp -90.99 -55.3 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.2 t -57.13 106.33 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 174.75 -96.86 0.11 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 68' ' ' SER . 53.3 Cg_endo -69.78 -6.66 19.14 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.688 2.259 . . . . 0.0 112.315 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 67' ' ' PRO . 38.6 t -34.56 131.52 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.3 m -114.1 133.54 55.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.824 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.526 179.966 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.1 t -107.59 124.07 49.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 110.856 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.7 p -121.34 -54.22 1.99 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.81 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.22 -170.32 34.96 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.4 p -105.95 120.57 42.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.886 0.374 . . . . 0.0 110.846 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 7' ' ' GLY . 21.4 m -44.57 124.52 4.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -35.06 -70.23 0.18 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.503 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 173.49 -132.37 2.3 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -150.08 139.39 21.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 0.0 110.944 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.487 ' O ' HD13 ' A' ' 11' ' ' ILE . . . -141.07 151.21 43.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.078 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.635 HG12 HD11 ' A' ' 64' ' ' ILE . 8.1 mm -113.78 135.77 52.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.96 108.82 11.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.5 mmmt -70.69 -25.45 62.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -148.17 -176.13 5.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -96.82 135.29 39.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.51 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . 69.3 t80 -116.44 137.83 51.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -120.1 81.98 1.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -51.31 130.06 33.17 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.523 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.38 -36.65 20.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.909 0.385 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.4 p -99.18 167.33 10.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -65.93 -52.83 46.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.6 p -49.15 -19.98 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -88.72 133.67 34.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.414 ' C ' ' SD ' ' A' ' 24' ' ' MET . 6.0 tmm? -105.14 127.11 52.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.7 m -86.67 141.17 29.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.51 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 17.6 p90 -137.4 152.65 49.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -103.55 136.06 43.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -42.39 132.79 3.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.57 -38.95 2.93 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -43.46 158.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.866 0.365 . . . . 0.0 110.9 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.5 ttp85 -103.95 107.15 17.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.841 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.445 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 52.0 mt -90.99 104.66 15.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.071 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.2 m -69.2 90.84 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.187 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.434 HD11 ' HB2' ' A' ' 10' ' ' ALA . 18.1 mt -47.09 126.51 9.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.7 mt -108.95 -47.17 3.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.488 ' O ' ' CB ' ' A' ' 44' ' ' GLU . 31.3 ptt180 -170.13 155.78 5.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -92.71 113.69 26.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.513 HG21 HG22 ' A' ' 55' ' ' ILE . 59.6 t -75.45 -62.37 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -113.09 164.96 12.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -56.59 -24.5 48.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.54 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 3.4 m-80 -127.9 34.86 4.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.867 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.54 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 60.7 m95 -153.55 116.69 4.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.71 ' CD2' HD12 ' A' ' 58' ' ' ILE . 19.7 m-85 -100.59 153.44 19.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.488 ' CB ' ' O ' ' A' ' 36' ' ' ARG . 21.3 tt0 -107.68 150.19 27.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.74 169.0 40.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.462 ' C ' HD13 ' A' ' 47' ' ' ILE . 32.0 ptt180 -128.5 161.69 28.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.332 . . . . 0.0 110.894 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.595 HG23 ' HD2' ' A' ' 48' ' ' PRO . 5.4 mm -108.02 137.76 19.91 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.584 0.707 . . . . 0.0 111.141 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.595 ' HD2' HG23 ' A' ' 47' ' ' ILE . 53.9 Cg_endo -69.74 123.3 9.97 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.67 2.247 . . . . 0.0 112.397 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.49 -42.88 1.79 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.485 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.495 ' O ' ' N ' ' A' ' 52' ' ' ARG . 60.9 p -101.43 -3.24 29.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.771 0.319 . . . . 0.0 111.105 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 50' ' ' THR . 44.7 m 35.98 30.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.814 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 50' ' ' THR . 17.6 mtp180 -74.78 116.59 15.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -109.76 136.06 49.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -172.74 -149.01 6.52 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.513 HG22 HG21 ' A' ' 38' ' ' VAL . 24.0 pt -130.57 169.89 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.935 0.398 . . . . 0.0 111.1 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.445 ' CZ ' HG21 ' A' ' 32' ' ' ILE . 12.5 p90 -175.03 155.11 1.79 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.691 0.758 . . . . 0.0 110.849 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.528 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.8 Cg_endo -69.74 -179.76 3.13 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.682 2.255 . . . . 0.0 112.384 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.71 HD12 ' CD2' ' A' ' 43' ' ' TYR . 4.0 mm -91.23 -59.3 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 58' ' ' ILE . 40.7 p -34.08 -43.92 0.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.528 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 15.5 m-85 -58.49 -52.09 67.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 61' ' ' VAL . 15.4 m -105.74 121.55 58.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.148 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -93.4 80.53 4.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.3 p -49.76 126.52 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.108 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.679 ' H ' HD12 ' A' ' 64' ' ' ILE . 4.8 mp -71.96 -52.26 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.4 t -60.9 92.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -170.53 -175.81 39.52 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.52 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 115.15 3.95 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.709 2.273 . . . . 0.0 112.329 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 t -71.72 -43.82 65.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.5 m -68.97 83.41 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.457 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.6 m -142.56 155.23 44.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.369 . . . . 0.0 110.893 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -85.58 143.45 28.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.835 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.89 167.64 41.45 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.511 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -139.37 140.45 37.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.368 . . . . 0.0 110.87 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.9 p -75.19 145.41 42.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.853 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.03 -71.98 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.481 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -171.37 171.76 44.15 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.506 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.405 ' HG3' HD12 ' A' ' 64' ' ' ILE . 7.7 pt-20 -135.23 166.95 21.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.849 0.357 . . . . 0.0 110.9 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.2 159.42 42.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.505 HG12 HD11 ' A' ' 64' ' ' ILE . 30.3 mm -110.93 124.04 67.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.43 95.39 1.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.525 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 1.4 mmmm -61.09 -22.67 64.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.525 ' CD1' ' O ' ' A' ' 13' ' ' LYS . 48.1 m-85 -152.61 178.41 9.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -96.9 134.6 40.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -105.94 139.84 39.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -106.77 80.51 1.46 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -47.25 173.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.471 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -134.3 -56.85 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.817 0.342 . . . . 0.0 110.852 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.3 p -99.99 178.37 4.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.154 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -63.7 -54.08 41.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.479 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 12.7 p -47.94 -30.61 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -82.75 136.46 34.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 6.9 tmm? -114.36 134.86 54.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.6 p -102.57 137.57 40.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -126.86 170.49 12.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 28' ' ' LYS . 54.8 ttt180 -116.57 136.51 52.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.845 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 27' ' ' ARG . 22.8 tttp -37.15 130.3 0.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.43 -42.13 2.49 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.441 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -40.31 144.41 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.377 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -98.29 119.64 37.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.901 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.626 HD12 HG11 ' A' ' 61' ' ' VAL . 28.7 mt -103.89 101.3 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 37.4 m -64.56 92.47 0.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.2 mt -50.89 122.53 7.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.5 mt -107.36 -48.64 3.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -155.67 159.03 39.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.481 ' HG3' ' CD1' ' A' ' 43' ' ' TYR . 66.0 tt0 -105.82 118.82 37.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.454 HG21 HG22 ' A' ' 55' ' ' ILE . 66.2 t -72.62 -63.08 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -120.46 -176.2 3.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -71.79 -21.25 61.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.485 ' C ' HD11 ' A' ' 58' ' ' ILE . 26.3 m120 -127.61 36.05 4.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.807 ' N ' HD11 ' A' ' 58' ' ' ILE . 86.9 m95 -157.06 119.79 3.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.714 ' CD2' HD12 ' A' ' 58' ' ' ILE . 14.3 m-85 -109.03 138.77 44.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.927 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -103.35 139.67 38.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.83 -177.95 37.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.444 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.3 ptt180 -130.57 164.82 24.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.803 0.335 . . . . 0.0 110.838 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.679 HG23 ' HD2' ' A' ' 48' ' ' PRO . 38.9 mm -111.02 138.68 21.25 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.613 0.721 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.679 ' HD2' HG23 ' A' ' 47' ' ' ILE . 54.6 Cg_endo -69.73 -44.84 1.86 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.423 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.65 -24.61 76.17 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.473 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 47' ' ' ILE . 82.4 p -143.43 135.13 26.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.79 0.329 . . . . 0.0 111.132 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 44.8 m -75.71 48.86 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -99.08 128.28 45.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -131.77 162.66 29.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.479 ' CA ' ' O ' ' A' ' 22' ' ' VAL . . . 164.41 -122.78 1.11 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.509 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.454 HG22 HG21 ' A' ' 38' ' ' VAL . 27.3 pt -145.93 165.35 9.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 0.0 111.157 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.468 ' CZ ' HG21 ' A' ' 32' ' ' ILE . 8.7 p90 -170.72 155.97 4.92 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.68 0.752 . . . . 0.0 110.829 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.593 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.8 Cg_endo -69.75 161.08 47.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.646 2.231 . . . . 0.0 112.335 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.807 HD11 ' N ' ' A' ' 42' ' ' TRP . 1.5 mm -79.38 -63.56 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 58' ' ' ILE . 60.9 p -33.97 -36.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.593 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 8.3 m-85 -61.78 -53.56 54.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.626 HG11 HD12 ' A' ' 32' ' ' ILE . 34.6 m -101.56 143.34 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.136 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.26 105.64 14.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.9 p -62.28 139.85 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.505 HD11 HG12 ' A' ' 11' ' ' ILE . 12.1 mt -96.99 -70.81 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.174 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.3 t -81.9 148.03 28.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 142.09 -169.8 25.2 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -7.41 20.98 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.656 2.237 . . . . 0.0 112.357 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.4 t -40.2 137.26 1.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 41.4 t -138.19 153.24 49.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.461 -179.965 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.2 m -159.81 159.3 32.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 110.84 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.4 t -96.75 166.01 11.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.69 -56.0 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.472 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.4 p -174.44 122.44 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 110.845 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.2 m -69.57 174.35 5.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.37 -81.64 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.448 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.02 177.44 29.85 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.46 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -136.84 144.96 43.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.358 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -150.66 169.19 22.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.947 HG13 HD11 ' A' ' 64' ' ' ILE . 2.8 mt -138.78 138.94 41.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.46 101.47 4.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.542 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -68.8 -11.07 60.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.542 ' CG ' ' O ' ' A' ' 13' ' ' LYS . 98.3 m-85 -162.89 156.72 20.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -68.83 136.52 52.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -116.03 137.47 52.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -115.27 91.88 3.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -42.46 111.93 0.4 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -60.85 -41.56 96.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.898 0.38 . . . . 0.0 110.898 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.6 HG23 HG12 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -131.13 168.12 17.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 -179.882 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.404 ' N ' ' OG1' ' A' ' 20' ' ' THR . 16.8 tt0 -56.33 -16.76 6.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.648 ' O ' HG13 ' A' ' 22' ' ' VAL . 6.6 p -88.4 41.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -153.76 154.59 34.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.2 tmm? -114.32 127.1 55.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 59.7 p -92.1 147.47 22.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -146.64 151.54 37.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.3 mtp85 -95.56 149.76 21.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -58.63 133.16 55.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.55 -28.24 16.39 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.498 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -65.14 154.14 38.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.852 0.358 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.3 ttm-85 -108.88 120.73 43.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 36.6 mt -89.92 123.41 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 55.9 m -78.2 81.14 4.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.143 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.9 mt -39.46 136.53 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.924 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.6 mt -122.12 -36.36 2.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.414 ' HB2' ' NH1' ' A' ' 36' ' ' ARG . 3.5 ptm85 -171.43 177.17 3.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -118.3 115.25 24.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.421 HG21 HG22 ' A' ' 55' ' ' ILE . 43.9 t -74.43 -70.74 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -111.43 -178.31 3.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -71.32 -18.31 62.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.565 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 90.0 m-20 -130.8 37.01 3.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.656 ' N ' HD11 ' A' ' 58' ' ' ILE . 80.2 m95 -157.97 115.53 2.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.584 ' CD2' HD12 ' A' ' 58' ' ' ILE . 15.7 m-85 -103.45 138.54 40.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -93.14 143.16 26.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -170.74 164.33 37.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.473 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -122.43 168.46 12.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 0.0 110.86 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.662 HG23 ' HD2' ' A' ' 48' ' ' PRO . 39.0 mm -108.81 138.52 20.34 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.643 0.735 . . . . 0.0 111.104 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.662 ' HD2' HG23 ' A' ' 47' ' ' ILE . 53.3 Cg_endo -69.75 127.57 14.79 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.685 2.257 . . . . 0.0 112.327 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.38 -50.87 1.27 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.502 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 48.7 p -86.64 -26.03 24.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.777 0.322 . . . . 0.0 111.156 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 t 58.4 37.38 25.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 mtp-105 -102.29 109.64 21.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -117.82 161.5 19.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -176.75 -107.89 0.22 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.465 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.492 HD11 ' O ' ' A' ' 22' ' ' VAL . 11.8 pt -155.0 161.22 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.358 . . . . 0.0 111.135 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.43 ' CE1' ' O ' ' A' ' 43' ' ' TYR . 6.0 p90 -173.64 155.53 2.58 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.651 0.738 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.592 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 54.5 Cg_endo -69.75 167.03 25.6 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.655 2.237 . . . . 0.0 112.375 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.656 HD11 ' N ' ' A' ' 42' ' ' TRP . 2.1 mm -80.45 -61.65 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 58' ' ' ILE . 77.2 p -33.85 -45.33 0.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.592 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 17.2 m-85 -57.76 -54.5 46.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.949 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 61' ' ' VAL . 5.6 m -94.82 126.21 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.128 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -94.38 109.67 21.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.489 HG12 ' H ' ' A' ' 66' ' ' GLY . 42.0 t -73.85 113.26 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.947 HD11 HG13 ' A' ' 11' ' ' ILE . 5.3 mp -66.54 -54.26 27.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.097 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.6 t -42.92 -48.08 5.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.489 ' H ' HG12 ' A' ' 63' ' ' VAL . . . 54.59 168.1 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.532 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 136.95 34.27 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 m -156.84 148.58 22.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.5 p -169.57 127.29 0.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.496 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.8 p -148.57 133.96 18.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.342 . . . . 0.0 110.903 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.2 m -155.62 149.52 25.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.23 65.57 0.54 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.45 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.3 p -48.93 117.67 2.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -111.94 113.12 25.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.15 -95.31 0.34 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.481 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 166.72 177.97 38.93 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -127.03 130.72 50.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.855 0.359 . . . . 0.0 110.897 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -118.82 167.38 11.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 40.5 mm -134.91 120.47 30.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.22 105.78 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.407 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 22.7 mmmt -74.81 -21.57 59.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' A' ' 13' ' ' LYS . 69.0 m-85 -150.65 152.51 34.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -68.74 113.46 6.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . 79.4 t80 -83.68 136.49 34.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -109.27 76.41 1.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -44.56 151.4 0.7 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.497 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -113.32 -57.82 2.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.871 0.367 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.6 p -80.2 158.57 26.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -53.58 -46.6 70.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.439 HG13 ' N ' ' A' ' 23' ' ' GLU . 5.3 p -56.17 -44.45 79.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.439 ' N ' HG13 ' A' ' 22' ' ' VAL . 23.2 mt-10 -54.19 146.44 15.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.4 tmm? -122.98 124.82 44.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 76.2 p -86.94 134.82 33.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.814 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.541 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 6.7 p90 -131.09 152.78 50.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.841 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -97.83 157.75 15.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -54.75 138.57 41.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.07 -38.96 3.14 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -47.12 138.43 6.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.896 0.379 . . . . 0.0 110.893 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -93.36 135.94 34.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.609 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 42.4 mt -112.58 103.82 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.168 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.3 m -63.86 87.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.9 mt -44.43 129.98 6.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.966 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 47.9 mt -115.54 -42.73 3.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -168.08 161.15 12.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.546 ' HG3' ' CD1' ' A' ' 43' ' ' TYR . 60.1 tt0 -102.17 111.1 23.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.538 HG23 ' HB2' ' A' ' 44' ' ' GLU . 46.1 t -70.15 -63.36 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.446 ' OD1' HG12 ' A' ' 38' ' ' VAL . 3.2 m-20 -119.22 176.96 5.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -69.13 -22.08 63.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.57 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 20.7 m120 -126.13 31.79 5.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.758 ' N ' HD11 ' A' ' 58' ' ' ILE . 67.7 m95 -155.62 117.11 3.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.958 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.623 ' CD2' HD12 ' A' ' 58' ' ' ILE . 23.8 m-85 -103.46 146.85 27.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.538 ' HB2' HG23 ' A' ' 38' ' ' VAL . 4.9 tp10 -102.53 146.12 28.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.867 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.44 169.09 40.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.469 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -125.96 166.31 17.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.744 0.307 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.666 HG23 ' HD2' ' A' ' 48' ' ' PRO . 21.0 mm -97.42 138.72 21.16 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.617 0.722 . . . . 0.0 111.137 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.666 ' HD2' HG23 ' A' ' 47' ' ' ILE . 53.4 Cg_endo -69.85 146.11 58.66 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.66 2.24 . . . . 0.0 112.337 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.7 -44.2 2.25 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.473 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.449 ' HB ' ' CD ' ' A' ' 52' ' ' ARG . 7.8 p -88.86 -174.95 4.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.757 0.313 . . . . 0.0 111.126 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 73.5 m -131.35 39.29 3.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.449 ' CD ' ' HB ' ' A' ' 50' ' ' THR . 0.5 OUTLIER -109.33 115.18 29.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.84 -179.902 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -121.9 151.32 40.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 174.97 173.24 40.62 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.48 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.486 HG22 HG21 ' A' ' 38' ' ' VAL . 29.8 pt -84.23 168.48 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.887 0.375 . . . . 0.0 111.14 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.609 ' CZ ' HG21 ' A' ' 32' ' ' ILE . 7.6 p90 -171.23 155.44 4.29 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.671 0.748 . . . . 0.0 110.857 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.583 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.3 Cg_endo -69.82 166.98 25.86 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.689 2.259 . . . . 0.0 112.329 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.758 HD11 ' N ' ' A' ' 42' ' ' TRP . 2.1 mm -80.5 -60.83 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 58' ' ' ILE . 29.2 p -34.3 -47.57 0.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.141 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.583 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 18.1 m-85 -55.31 -49.11 73.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 61' ' ' VAL . 14.2 m -102.41 121.34 53.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.161 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -89.99 109.13 20.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 91.0 t -69.55 145.61 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.051 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.1 mt -98.91 -56.59 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.066 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.2 t -68.81 95.92 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -170.9 -178.15 41.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.481 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -22.48 31.93 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.687 2.258 . . . . 0.0 112.353 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.7 t -38.81 -62.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.7 t -59.11 -59.47 5.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.829 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.523 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -78.53 93.4 4.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 0.0 110.836 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.2 p -101.57 122.33 43.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.78 162.64 3.6 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.525 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.7 p -86.82 121.77 29.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.893 0.378 . . . . 0.0 110.842 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.7 m -120.46 101.24 7.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.846 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.13 -52.92 0.98 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 149.84 -145.76 14.23 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.44 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.422 ' N ' HD12 ' A' ' 34' ' ' LEU . 2.0 tp10 -147.14 150.68 35.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.845 0.355 . . . . 0.0 110.891 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -150.88 161.31 42.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.445 HG12 HD11 ' A' ' 64' ' ' ILE . 49.9 mm -123.02 130.22 74.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.084 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.27 93.37 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.1 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.3 mtmm -55.42 -24.84 32.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -147.4 175.05 11.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -86.54 143.03 27.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -116.61 151.93 35.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -116.76 65.11 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.09 86.71 0.13 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.495 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -70.63 -53.46 15.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.901 0.381 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.8 p -67.14 142.45 57.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.195 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.433 ' HG3' ' N ' ' A' ' 22' ' ' VAL . 21.5 pt20 -52.04 -44.83 64.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.433 ' N ' ' HG3' ' A' ' 21' ' ' GLN . 12.8 m -54.28 -28.12 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.407 ' HG3' HG23 ' A' ' 22' ' ' VAL . 90.9 mt-10 -90.67 140.49 29.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 47.4 ttp -108.11 116.6 32.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 84.3 p -83.76 130.69 34.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -131.09 151.51 51.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -88.64 134.14 33.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.5 ttpp -50.89 121.05 5.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.57 -40.18 2.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.478 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -66.52 136.82 56.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.859 0.361 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.419 ' HA ' HD13 ' A' ' 11' ' ' ILE . 13.7 ptp180 -71.09 170.93 11.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.431 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 46.2 mt -139.29 109.02 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.1 m -64.02 93.33 0.09 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.422 HD12 ' N ' ' A' ' 9' ' ' GLU . 33.6 mt -54.18 134.2 44.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 58.0 mt -117.53 -42.12 2.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -171.57 157.35 4.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.423 ' CD ' ' CE1' ' A' ' 43' ' ' TYR . 57.2 tt0 -99.79 114.55 27.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.2 t -72.49 -67.95 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -110.84 -175.77 2.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.0 mp0 -76.74 -14.61 59.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.519 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 44.8 m-80 -134.13 33.32 3.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.631 ' N ' HD11 ' A' ' 58' ' ' ILE . 71.5 m95 -155.24 115.35 3.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.565 ' CD2' HD12 ' A' ' 58' ' ' ILE . 15.1 m-85 -100.18 155.79 17.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -117.23 141.59 48.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -173.28 178.19 45.35 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -123.96 168.46 12.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.319 . . . . 0.0 110.874 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.665 HG23 ' HD2' ' A' ' 48' ' ' PRO . 17.7 mm -114.14 138.31 22.86 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.638 0.732 . . . . 0.0 111.141 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.665 ' HD2' HG23 ' A' ' 47' ' ' ILE . 54.2 Cg_endo -69.72 -44.57 2.03 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.664 2.243 . . . . 0.0 112.371 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.73 -24.44 75.47 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.521 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.2 p -144.86 134.2 23.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.805 0.336 . . . . 0.0 111.143 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 t -75.95 48.75 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.5 mtt180 -95.27 125.94 40.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -118.37 152.61 35.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 164.93 -153.51 23.75 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.504 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 38.4 pt -123.15 169.92 13.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.895 0.379 . . . . 0.0 111.115 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.431 ' CZ ' HG21 ' A' ' 32' ' ' ILE . 11.5 p90 -171.9 155.27 3.73 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.609 0.719 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.525 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.5 Cg_endo -69.78 168.62 21.05 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.352 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.631 HD11 ' N ' ' A' ' 42' ' ' TRP . 1.8 mm -82.97 -58.71 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.074 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 58' ' ' ILE . 63.4 p -35.07 -38.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.525 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 11.8 m-85 -66.12 -49.43 67.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 58' ' ' ILE . 7.3 m -100.05 128.48 51.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.437 ' OD1' ' C ' ' A' ' 62' ' ' ASP . 8.4 t0 -97.75 114.85 26.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 71.2 t -60.03 140.27 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.445 HD11 HG12 ' A' ' 11' ' ' ILE . 59.0 mt -96.56 -58.8 3.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.9 t -89.12 154.27 20.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 125.48 -158.52 19.86 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -1.57 8.7 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.64 2.226 . . . . 0.0 112.38 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.7 m -80.88 140.19 35.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 80.7 p -105.1 126.91 52.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.806 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.51 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -108.12 143.16 37.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.856 0.36 . . . . 0.0 110.885 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 4' ' ' GLY . 3.4 t -155.67 146.1 21.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.827 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 36.62 42.48 0.68 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.476 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 m -125.71 102.36 7.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.859 0.361 . . . . 0.0 110.837 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.1 t -159.61 117.27 2.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.88 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.04 -87.17 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.478 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -127.09 171.09 18.72 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.444 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -135.46 135.42 40.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 0.0 110.906 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -141.16 140.3 34.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.506 HD13 ' HA ' ' A' ' 31' ' ' ARG . 28.4 mm -113.24 133.12 60.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.083 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.27 111.18 3.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -84.29 -31.04 25.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -132.85 152.16 51.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -61.08 136.1 57.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.516 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . 46.0 t80 -117.87 159.42 23.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -161.27 121.43 2.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -128.49 -24.26 1.15 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.453 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 44.44 25.37 0.12 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.895 0.379 . . . . 0.0 110.838 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 21' ' ' GLN . 5.1 p -132.93 129.67 38.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 20' ' ' THR . 68.4 mt-30 -34.71 -55.24 0.56 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.922 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.513 HG23 ' N ' ' A' ' 23' ' ' GLU . 33.2 m -51.76 -45.18 37.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.513 ' N ' HG23 ' A' ' 22' ' ' VAL . 37.8 mt-10 -77.3 160.12 29.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.431 ' HE3' HD11 ' A' ' 47' ' ' ILE . 41.8 ttp -130.57 81.87 2.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.9 m -51.3 123.04 8.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.894 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.516 ' CE1' ' HB2' ' A' ' 16' ' ' PHE . 5.7 p90 -135.92 160.5 38.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.865 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.8 ttp180 -109.08 147.23 32.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.853 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.1 ttpp -53.32 121.25 7.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.51 -51.36 0.82 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.536 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -59.31 135.91 57.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.806 0.336 . . . . 0.0 110.886 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.506 ' HA ' HD13 ' A' ' 11' ' ' ILE . 11.4 ptp180 -74.19 174.99 7.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.508 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 69.6 mt -146.75 111.67 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.8 m -68.84 82.49 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.4 mt -44.84 111.1 0.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.0 mt -91.33 -42.69 10.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -170.03 -177.17 2.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -120.44 117.31 27.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.9 t -78.21 -64.54 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -112.17 -176.84 3.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -77.83 -17.28 57.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.511 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 16.9 m-80 -130.15 31.27 4.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.547 ' N ' HD11 ' A' ' 58' ' ' ILE . 70.2 m95 -154.52 117.2 4.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.969 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.561 ' CD2' HD12 ' A' ' 58' ' ' ILE . 14.3 m-85 -100.74 152.34 20.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.885 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -110.92 144.02 40.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -174.63 169.63 42.62 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.406 ' CB ' ' HB3' ' A' ' 53' ' ' GLN . 14.8 ptp180 -124.79 171.44 10.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.805 0.336 . . . . 0.0 110.889 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.65 HG23 ' HD2' ' A' ' 48' ' ' PRO . 25.5 mm -99.54 138.39 20.45 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.587 0.708 . . . . 0.0 111.133 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.65 ' HD2' HG23 ' A' ' 47' ' ' ILE . 53.4 Cg_endo -69.77 103.67 1.2 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.684 2.256 . . . . 0.0 112.336 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 122.98 -40.26 2.05 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.492 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 75.5 p -117.23 141.56 48.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.813 0.339 . . . . 0.0 111.137 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.8 m -79.33 48.58 0.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -107.48 82.36 1.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.406 ' HB3' ' CB ' ' A' ' 46' ' ' ARG . 10.6 pt20 -111.99 147.14 36.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -164.99 -148.54 5.51 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.459 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 30.7 pt -115.07 164.14 11.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.856 0.36 . . . . 0.0 111.117 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.508 ' CZ ' HG21 ' A' ' 32' ' ' ILE . 7.2 p90 -175.01 155.27 1.82 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.663 0.744 . . . . 0.0 110.868 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.462 ' HD3' ' CZ3' ' A' ' 42' ' ' TRP . 54.1 Cg_endo -69.7 174.47 9.4 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 2.243 . . . . 0.0 112.373 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.561 HD12 ' CD2' ' A' ' 43' ' ' TYR . 1.8 mm -86.52 -62.21 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.148 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 58' ' ' ILE . 73.3 p -34.16 -39.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -63.69 -49.25 73.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 61' ' ' VAL . 29.7 m -101.45 124.14 55.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -86.9 109.88 19.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 48.8 t -68.64 126.75 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.0 mt -83.67 -48.08 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.143 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 26.3 t -92.98 103.91 16.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -150.34 -96.88 0.16 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 103.09 1.1 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.709 2.273 . . . . 0.0 112.34 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.5 m -154.12 135.76 14.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.9 m -64.25 121.94 15.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.481 179.999 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.8 m -117.51 175.31 5.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.891 0.376 . . . . 0.0 110.837 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.8 p -63.79 117.04 6.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.99 -90.01 0.3 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.519 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 6' ' ' SER . 84.4 p 43.18 42.38 3.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.849 0.357 . . . . 0.0 110.811 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 5' ' ' SER . 1.4 t 36.05 39.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.97 -47.71 64.23 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.8 155.32 16.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -136.95 161.92 34.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.359 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -166.36 136.8 3.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.078 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.3 mm -110.6 128.78 66.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.23 99.49 1.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.3 mmmt -63.73 -29.71 70.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -135.67 178.33 7.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -92.22 137.61 32.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -117.25 138.02 52.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -128.87 82.07 2.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.01 131.81 23.35 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.506 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -73.97 -52.42 12.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.864 0.364 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.6 p -77.29 151.67 34.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -58.04 -43.23 86.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -49.84 -30.71 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -79.88 127.03 31.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.0 tmm? -95.36 127.33 41.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.8 m -98.17 137.96 36.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -130.19 168.08 17.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 ttp85 -105.86 144.96 31.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -58.62 95.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.5 41.05 0.64 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -128.54 148.82 50.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.808 0.337 . . . . 0.0 110.914 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -79.53 140.29 37.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.5 mt -125.93 100.35 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 19.4 m -67.44 91.64 0.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.2 mt -51.87 116.56 2.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.537 HD11 ' HD3' ' A' ' 46' ' ' ARG . 55.5 mt -99.2 -37.89 9.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -171.49 167.96 6.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -110.65 109.58 19.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.647 HG21 HG22 ' A' ' 55' ' ' ILE . 91.3 t -68.53 -64.45 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.074 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -115.1 167.82 10.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.849 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -62.77 -23.83 67.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.598 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 16.8 m120 -121.98 30.85 6.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.598 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 54.7 m95 -154.11 117.71 4.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.712 ' CD2' HD12 ' A' ' 58' ' ' ILE . 23.5 m-85 -99.26 149.45 23.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -106.52 151.57 24.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.46 168.75 32.71 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.478 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.537 ' HD3' HD11 ' A' ' 35' ' ' LEU . 14.6 ptt180 -123.26 -179.97 4.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.772 0.32 . . . . 0.0 110.852 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.623 HG23 ' HD2' ' A' ' 48' ' ' PRO . 17.9 mm -107.95 137.43 19.8 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.65 0.738 . . . . 0.0 111.125 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.623 ' HD2' HG23 ' A' ' 47' ' ' ILE . 54.1 Cg_endo -69.72 109.19 2.24 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.708 2.272 . . . . 0.0 112.343 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 122.47 -43.27 1.49 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.524 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.7 p -113.23 176.47 5.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 111.138 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.7 t -107.56 48.69 0.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 33.3 mtt180 -99.7 87.17 3.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -113.13 161.91 16.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 163.37 -138.74 5.48 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.507 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.647 HG22 HG21 ' A' ' 38' ' ' VAL . 21.5 pt -127.18 167.58 21.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.834 0.35 . . . . 0.0 111.152 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -175.01 155.12 1.8 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.626 0.727 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.539 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.9 Cg_endo -69.71 176.38 6.81 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.694 2.262 . . . . 0.0 112.309 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.712 HD12 ' CD2' ' A' ' 43' ' ' TYR . 4.5 mm -89.3 -60.4 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 58' ' ' ILE . 24.2 p -34.0 -47.81 0.28 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.539 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 21.1 m-85 -54.44 -54.33 42.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.508 ' O ' HG23 ' A' ' 61' ' ' VAL . 27.3 m -99.99 122.21 51.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.168 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.61 106.16 16.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 92.0 t -66.85 113.64 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.08 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.629 HD12 ' H ' ' A' ' 64' ' ' ILE . 5.3 mp -69.09 -58.99 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.4 m -96.24 128.24 42.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.838 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.53 146.78 48.35 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.49 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 102.41 1.02 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.679 2.253 . . . . 0.0 112.31 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.9 m -77.7 116.18 18.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 62.9 p -124.79 154.47 40.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.4 p -166.08 140.44 4.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.886 0.374 . . . . 0.0 110.852 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.8 p -132.94 144.25 50.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.849 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.62 90.12 1.33 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.2 p -173.48 153.83 2.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.875 0.369 . . . . 0.0 110.867 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.425 ' HA ' ' CG2' ' A' ' 33' ' ' THR . 60.3 p -57.46 128.24 36.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.6 -56.46 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.55 -160.28 22.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -162.96 142.18 8.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.879 0.371 . . . . 0.0 110.915 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -151.29 145.83 25.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.103 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.1 mm -116.61 131.26 69.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.67 90.4 0.4 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -58.11 -34.41 70.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -131.7 165.63 23.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -83.88 124.78 31.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.561 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . 57.4 t80 -103.2 129.52 50.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -114.22 96.67 5.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.46 129.65 9.19 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -83.51 -47.28 11.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.889 0.376 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.7 p -87.48 170.11 11.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.165 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.453 ' HG3' ' N ' ' A' ' 22' ' ' VAL . 27.4 pt20 -67.37 -46.9 71.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.453 ' N ' ' HG3' ' A' ' 21' ' ' GLN . 7.3 p -50.26 -34.88 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -79.39 130.87 35.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.1 tmm? -104.82 133.07 50.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 90.5 p -100.52 132.8 45.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.804 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.561 ' CE1' ' HB2' ' A' ' 16' ' ' PHE . 3.0 p90 -128.23 147.86 50.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -84.48 144.31 28.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -56.13 98.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.15 36.67 1.19 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.478 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -114.04 153.09 30.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.813 0.34 . . . . 0.0 110.925 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.467 ' CZ ' ' HB2' ' A' ' 31' ' ' ARG . 15.1 ttm105 -91.48 115.71 28.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.6 mt -109.58 110.01 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.425 ' CG2' ' HA ' ' A' ' 6' ' ' SER . 59.2 m -64.66 105.03 0.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.475 HD11 HG23 ' A' ' 63' ' ' VAL . 37.0 mt -61.95 101.29 0.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.944 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.645 HD12 ' HA2' ' A' ' 45' ' ' GLY . 8.2 mt -86.09 -61.21 1.8 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.01 -175.03 4.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.634 ' CD ' ' CE1' ' A' ' 43' ' ' TYR . 62.1 tt0 -129.28 97.7 4.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.499 HG23 ' HB2' ' A' ' 44' ' ' GLU . 96.0 t -55.86 -61.78 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.6 157.29 26.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -48.8 -24.96 1.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.729 ' C ' HD11 ' A' ' 58' ' ' ILE . 4.9 m120 -123.64 35.31 4.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.891 ' N ' HD11 ' A' ' 58' ' ' ILE . 63.2 m95 -154.18 117.95 4.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.634 ' CE1' ' CD ' ' A' ' 37' ' ' GLN . 30.2 m-85 -107.27 128.79 54.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.499 ' HB2' HG23 ' A' ' 38' ' ' VAL . 23.6 tt0 -89.76 128.9 36.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.645 ' HA2' HD12 ' A' ' 35' ' ' LEU . . . -157.99 171.18 34.96 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -125.83 179.22 5.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.777 0.323 . . . . 0.0 110.838 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.54 HG23 ' HD2' ' A' ' 48' ' ' PRO . 7.2 mm -119.04 137.06 24.7 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.642 0.734 . . . . 0.0 111.099 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.54 ' HD2' HG23 ' A' ' 47' ' ' ILE . 53.9 Cg_endo -69.78 135.98 31.78 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.654 2.236 . . . . 0.0 112.383 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.94 -46.47 2.9 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.474 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 76.9 p -100.97 168.17 9.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.756 0.312 . . . . 0.0 111.154 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.9 m -103.5 37.23 2.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 35.8 mtt85 -94.04 108.33 20.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.5 tm0? -139.18 143.76 38.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 176.65 -152.71 12.79 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.505 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 32.8 pt -108.59 167.89 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 111.119 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.579 ' CE1' ' O ' ' A' ' 43' ' ' TYR . 5.6 p90 -174.94 156.13 1.98 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.609 0.718 . . . . 0.0 110.928 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.586 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.9 Cg_endo -69.77 155.93 64.65 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.622 2.215 . . . . 0.0 112.358 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.891 HD11 ' N ' ' A' ' 42' ' ' TRP . 2.6 mm -69.26 -62.06 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 58' ' ' ILE . 25.0 p -34.06 -53.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.586 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 9.6 m-85 -47.03 -56.2 6.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 61' ' ' VAL . 34.4 m -98.46 120.72 48.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.1 105.9 18.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.487 ' O ' HG13 ' A' ' 63' ' ' VAL . 8.0 p -72.87 119.65 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.2 mp -79.2 -44.06 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.169 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.2 t -88.79 103.97 16.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -166.64 -158.59 11.33 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 155.86 64.71 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.68 2.253 . . . . 0.0 112.327 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.7 t -66.41 -55.14 17.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.826 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.6 t 71.14 35.53 1.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.528 179.978 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -112.33 146.63 37.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.833 0.349 . . . . 0.0 110.874 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -157.52 145.5 18.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.75 176.09 38.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.6 p -90.78 171.8 9.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.884 0.373 . . . . 0.0 110.907 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 t -155.35 162.23 40.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.69 85.13 0.16 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.505 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -136.26 -170.54 12.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.51 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -136.49 159.74 40.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.887 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -163.54 145.65 9.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.3 mm -113.63 137.37 47.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.05 105.45 5.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -78.5 -22.98 46.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -141.99 147.05 36.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -66.02 135.94 55.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.497 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . 18.3 t80 -120.19 161.32 21.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -160.71 108.79 1.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.476 ' HA3' ' CB ' ' A' ' 23' ' ' GLU . . . -104.09 -33.87 3.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.493 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 54.93 28.22 10.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.929 0.395 . . . . 0.0 110.863 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 23' ' ' GLU . 1.1 p -137.18 133.91 35.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.2 pt20 -40.07 -40.25 1.03 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.59 HG13 ' HG3' ' A' ' 23' ' ' GLU . 14.7 p -71.18 -36.31 61.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.156 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.59 ' HG3' HG13 ' A' ' 22' ' ' VAL . 42.7 mt-10 -91.57 153.26 19.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 11.5 tmm? -126.96 124.74 40.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.2 m -87.32 126.77 35.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.497 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 29.3 p90 -129.15 154.6 46.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.3 ttt-85 -95.43 143.8 26.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -58.84 130.0 44.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 105.59 -41.29 2.2 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.439 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.44 138.98 58.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.816 0.341 . . . . 0.0 110.922 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -74.87 167.33 22.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 17.2 mt -137.76 108.17 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.458 HG21 ' NH2' ' A' ' 46' ' ' ARG . 23.3 m -64.46 94.64 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 42.2 mt -55.37 131.78 46.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.1 mt -113.36 -43.68 3.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -168.74 154.98 6.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -93.31 106.06 18.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.736 HG21 HG22 ' A' ' 55' ' ' ILE . 97.0 t -62.46 -59.43 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.143 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -128.13 -177.2 4.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -73.94 -13.32 60.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.496 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 30.9 m-80 -134.35 33.01 3.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.614 ' N ' HD11 ' A' ' 58' ' ' ILE . 88.5 m95 -158.52 115.03 2.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.572 ' CD2' HD12 ' A' ' 58' ' ' ILE . 14.5 m-85 -100.46 142.62 31.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.697 ' HB2' HG23 ' A' ' 38' ' ' VAL . 9.8 tt0 -103.91 145.76 29.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.67 171.89 44.15 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.512 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.458 ' NH2' HG21 ' A' ' 33' ' ' THR . 22.7 ptt85 -114.72 178.4 4.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.872 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.688 HG23 ' HD2' ' A' ' 48' ' ' PRO . 39.1 mm -124.34 138.76 31.51 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.594 0.711 . . . . 0.0 111.161 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.688 ' HD2' HG23 ' A' ' 47' ' ' ILE . 54.2 Cg_endo -69.73 -44.85 1.86 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.657 2.238 . . . . 0.0 112.377 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.62 -25.69 73.89 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 47' ' ' ILE . 52.4 p -141.82 133.03 26.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.767 0.318 . . . . 0.0 111.166 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.3 m -75.57 49.06 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.888 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.0 mtt85 -90.2 166.32 13.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.846 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -153.94 142.58 20.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.952 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 169.06 -162.43 36.16 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.509 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.736 HG22 HG21 ' A' ' 38' ' ' VAL . 43.7 pt -116.03 165.46 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 111.148 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -164.54 155.07 12.83 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.623 0.725 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.588 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 54.2 Cg_endo -69.68 165.25 31.49 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.727 2.285 . . . . 0.0 112.332 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.614 HD11 ' N ' ' A' ' 42' ' ' TRP . 1.8 mm -80.49 -63.15 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 58' ' ' ILE . 24.9 p -33.95 -42.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.136 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.588 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 9.9 m-85 -57.11 -48.74 77.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 58' ' ' ILE . 11.7 m -99.84 143.38 13.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.159 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 62' ' ' ASP . 0.1 OUTLIER -104.57 112.42 25.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 88.7 t -74.04 129.24 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.8 mt -95.17 -51.07 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.7 m -103.95 88.19 2.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.818 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -154.47 -157.95 8.43 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.497 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 129.7 18.03 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.684 2.256 . . . . 0.0 112.344 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.6 p -167.19 139.03 3.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 54.8 p -135.62 113.07 10.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.49 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.5 m 38.12 42.32 0.47 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.874 0.369 . . . . 0.0 110.849 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.6 m -65.09 112.02 3.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.63 171.71 54.89 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.457 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -171.36 147.13 2.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.936 0.398 . . . . 0.0 110.859 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -110.17 152.49 25.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.29 -53.56 0.12 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -178.81 -155.69 15.28 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -150.45 143.2 24.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.884 0.374 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.623 ' HB2' HD11 ' A' ' 34' ' ' LEU . . . -138.56 174.44 10.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.505 HD13 ' HA ' ' A' ' 31' ' ' ARG . 20.5 mm -143.86 124.08 8.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.6 141.43 48.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.457 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 8.7 mtpt -119.46 -5.87 10.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.457 ' CD1' ' O ' ' A' ' 13' ' ' LYS . 61.3 m-85 -154.38 146.32 23.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -55.61 140.1 42.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.739 ' CD2' ' CE2' ' A' ' 26' ' ' PHE . 41.0 t80 -144.1 122.38 12.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 18' ' ' GLY . 52.1 t30 -110.9 42.06 1.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.849 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 17' ' ' ASN . . . 34.4 89.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.44 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -41.93 -49.67 4.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.896 0.379 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.9 p -123.02 161.43 24.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -45.89 -53.35 9.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.946 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.7 t -51.84 -36.14 18.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -74.17 135.28 42.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.472 ' HB2' ' N ' ' A' ' 54' ' ' GLY . 10.0 tmm? -90.4 127.3 36.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 87.1 p -84.52 141.74 30.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.739 ' CE2' ' CD2' ' A' ' 16' ' ' PHE . 18.8 p90 -143.2 166.18 25.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -120.17 135.82 54.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.433 ' HD3' ' C ' ' A' ' 13' ' ' LYS . 14.8 tptm -45.3 135.68 5.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.88 -21.97 38.66 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.457 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -83.66 132.67 34.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.505 ' HA ' HD13 ' A' ' 11' ' ' ILE . 15.4 ptt-85 -76.07 166.35 23.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 34' ' ' LEU . 15.7 mt -135.69 109.05 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 40.7 m -61.21 76.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.623 HD11 ' HB2' ' A' ' 10' ' ' ALA . 97.4 mt -46.14 113.65 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.6 mt -95.02 -41.45 9.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -168.79 158.57 9.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -95.76 102.0 13.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.824 HG23 ' HB2' ' A' ' 44' ' ' GLU . 73.3 t -57.6 -62.23 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.176 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -120.96 176.96 5.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -67.42 -20.62 65.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.543 ' C ' HD11 ' A' ' 58' ' ' ILE . 30.9 m-80 -129.11 31.95 4.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.64 ' N ' HD11 ' A' ' 58' ' ' ILE . 74.7 m95 -153.58 115.65 4.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.542 ' CD2' HD12 ' A' ' 58' ' ' ILE . 17.3 m-85 -100.65 137.83 38.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.824 ' HB2' HG23 ' A' ' 38' ' ' VAL . 7.9 tt0 -98.22 151.27 20.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 176.03 176.73 44.48 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.449 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.0 ptt180 -131.88 165.63 23.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.33 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.587 HG23 ' HD2' ' A' ' 48' ' ' PRO . 40.6 mm -107.94 137.21 19.74 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.568 0.699 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.587 ' HD2' HG23 ' A' ' 47' ' ' ILE . 53.3 Cg_endo -69.75 136.54 33.28 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.651 2.234 . . . . 0.0 112.317 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.87 -35.03 3.73 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.472 ' HB ' ' CZ ' ' A' ' 52' ' ' ARG . 60.9 p -106.83 -175.83 2.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.756 0.312 . . . . 0.0 111.141 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.2 m -118.5 9.49 12.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.472 ' CZ ' ' HB ' ' A' ' 50' ' ' THR . 0.0 OUTLIER -66.76 106.59 1.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.838 -179.896 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.413 ' HG2' ' N ' ' A' ' 54' ' ' GLY . 60.9 tt0 -138.19 157.32 46.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.472 ' N ' ' HB2' ' A' ' 24' ' ' MET . . . 156.09 -132.46 3.35 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.49 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.735 HG22 HG21 ' A' ' 38' ' ' VAL . 28.9 pt -123.53 169.8 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 0.0 111.087 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.436 ' CZ ' ' O ' ' A' ' 43' ' ' TYR . 27.7 p90 -173.81 154.43 2.31 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.7 0.762 . . . . 0.0 110.858 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.588 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 54.0 Cg_endo -69.77 167.01 25.69 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.718 2.278 . . . . 0.0 112.296 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.64 HD11 ' N ' ' A' ' 42' ' ' TRP . 2.4 mm -81.32 -63.08 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 58' ' ' ILE . 45.1 p -33.36 -52.53 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.181 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.588 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 21.6 m-85 -47.65 -49.77 26.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' A' ' 58' ' ' ILE . 16.8 m -95.47 164.75 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.135 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -125.48 110.3 13.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.9 t -69.34 132.49 33.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.5 mt -83.71 -51.72 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.5 t -93.38 125.27 37.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 142.35 174.09 14.68 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.449 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -3.59 12.33 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.654 2.236 . . . . 0.0 112.345 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 71.2 p -39.14 122.53 1.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.1 t -111.57 111.31 22.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.962 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -102.85 85.82 2.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.857 0.36 . . . . 0.0 110.873 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -91.81 131.87 36.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.63 61.09 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 m -133.97 158.0 44.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.845 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m 56.38 41.39 29.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.829 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.98 -79.07 0.76 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -168.54 179.22 41.64 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.462 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -136.63 151.54 49.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -156.93 164.22 38.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.052 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.0 mt -132.9 137.05 54.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.08 94.67 0.9 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -54.21 -25.0 20.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -144.75 177.68 8.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -91.83 122.23 34.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . 82.4 t80 -101.65 112.43 25.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -93.52 83.97 4.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.75 151.27 47.26 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.13 -31.44 6.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.886 0.374 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.2 p -99.46 162.09 13.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -74.5 -29.51 61.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.6 p -63.01 -31.19 51.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -84.45 148.35 26.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.4 ttp -106.39 119.63 39.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 89.7 p -82.58 140.75 33.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 16' ' ' PHE . 14.3 p90 -141.41 154.12 45.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -103.23 141.63 35.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.842 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.3 tttp -48.56 136.87 12.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.96 -36.39 3.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -58.83 146.2 38.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 -100.54 126.28 46.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.449 ' CD1' HG12 ' A' ' 61' ' ' VAL . 15.7 mt -96.13 118.12 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 34' ' ' LEU . 89.3 m -73.32 82.0 1.38 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 33' ' ' THR . 12.9 mt -35.18 144.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.9 mt -132.41 -46.46 0.9 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -165.48 158.74 16.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -97.52 110.08 22.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.781 HG23 ' HB2' ' A' ' 44' ' ' GLU . 58.7 t -72.23 -56.08 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.106 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -127.28 165.48 19.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -57.56 -28.6 63.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.443 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 83.0 m-20 -121.88 31.0 6.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.443 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 60.5 m95 -151.05 115.89 5.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.612 ' CD2' HD12 ' A' ' 58' ' ' ILE . 9.7 m-85 -99.25 143.41 29.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.781 ' HB2' HG23 ' A' ' 38' ' ' VAL . 4.6 tt0 -103.66 143.69 32.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.948 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -173.24 170.65 43.8 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -118.85 -176.73 3.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.837 0.351 . . . . 0.0 110.84 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.604 HG23 ' HD2' ' A' ' 48' ' ' PRO . 25.6 mm -129.14 136.76 29.66 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.633 0.73 . . . . 0.0 111.132 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.604 ' HD2' HG23 ' A' ' 47' ' ' ILE . 53.9 Cg_endo -69.75 138.0 36.82 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.661 2.241 . . . . 0.0 112.302 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.36 -38.11 3.01 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.457 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.1 p -99.16 -29.1 13.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.834 0.35 . . . . 0.0 111.162 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 t 64.21 33.71 11.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -57.62 174.37 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -170.98 130.22 0.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.08 -145.82 8.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.506 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.739 HG22 HG21 ' A' ' 38' ' ' VAL . 13.4 pt -131.22 168.06 24.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.879 0.371 . . . . 0.0 111.135 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -174.81 154.32 1.8 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.616 0.722 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.507 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 54.1 Cg_endo -69.71 173.75 10.46 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.612 HD12 ' CD2' ' A' ' 43' ' ' TYR . 2.6 mm -83.83 -61.07 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 58' ' ' ILE . 63.4 p -34.06 -54.43 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.507 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 16.6 m-85 -48.33 -52.54 21.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.871 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.449 HG12 ' CD1' ' A' ' 32' ' ' ILE . 34.2 m -88.14 164.72 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.69 106.12 7.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 62.6 t -61.31 127.51 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.188 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.433 ' O ' ' C ' ' A' ' 65' ' ' SER . 47.0 mm -59.28 -65.48 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.175 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 64' ' ' ILE . 1.9 t -35.59 -57.32 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.11 169.6 27.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 109.07 2.23 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.68 2.254 . . . . 0.0 112.34 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 m -154.41 144.96 22.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.82 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 95.5 p -99.15 119.5 37.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.508 -179.97 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m 45.26 38.69 3.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.37 . . . . 0.0 110.872 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 t -106.36 95.42 5.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.69 -118.15 3.06 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.53 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.4 p -130.75 157.78 41.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.913 0.387 . . . . 0.0 110.827 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -151.3 137.25 18.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.828 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.31 -62.8 0.36 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.486 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 151.46 128.53 1.46 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -77.33 149.4 35.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.886 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -143.61 153.79 42.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.071 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.43 HG12 HD11 ' A' ' 64' ' ' ILE . 31.2 mm -117.77 135.63 57.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.47 88.12 6.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -57.09 -25.09 58.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -147.77 163.99 34.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -83.95 146.9 27.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -119.81 135.52 54.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -112.17 95.01 5.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.46 144.85 19.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.62 ' OD1' HG23 ' A' ' 20' ' ' THR . 0.4 OUTLIER -102.89 -47.02 4.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.924 0.392 . . . . 0.0 110.884 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.62 HG23 ' OD1' ' A' ' 19' ' ' ASP . 47.9 p -83.4 173.83 11.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.08 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -76.47 -44.59 34.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.8 p -54.2 -18.65 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -97.24 121.88 39.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.5 tmm? -97.25 127.61 43.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 85.2 p -94.61 155.06 17.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.7 p90 -153.78 158.94 41.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.401 ' C ' ' OE1' ' A' ' 30' ' ' GLU . 12.6 tpt180 -102.44 151.89 21.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -56.49 131.18 47.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.79 -40.01 2.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.401 ' OE1' ' C ' ' A' ' 27' ' ' ARG . 1.6 mp0 -43.76 167.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.875 0.369 . . . . 0.0 110.852 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.442 ' C ' HG13 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -101.3 161.65 13.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.856 -179.892 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.442 HG13 ' C ' ' A' ' 31' ' ' ARG . 79.7 mt -154.98 113.05 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.7 m -83.39 95.35 8.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.4 mt -53.26 134.0 39.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.3 mt -113.17 -43.38 3.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.953 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 36' ' ' ARG . 3.4 ptp180 -161.39 179.96 7.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -120.35 106.57 11.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.773 HG21 HG22 ' A' ' 55' ' ' ILE . 61.5 t -67.22 -58.26 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -125.25 161.97 25.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -56.81 -24.56 51.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.489 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 21.2 m-80 -121.4 30.77 6.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.489 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 76.0 m95 -155.19 116.05 3.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.816 ' CD2' HD12 ' A' ' 58' ' ' ILE . 17.2 m-85 -98.88 146.54 25.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.597 ' HB2' HG23 ' A' ' 38' ' ' VAL . 19.7 tt0 -105.54 148.65 27.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -179.45 169.27 40.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.515 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -114.51 -177.44 3.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.654 HG23 ' HD2' ' A' ' 48' ' ' PRO . 20.2 mm -121.35 138.68 28.47 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.668 0.747 . . . . 0.0 111.13 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.654 ' HD2' HG23 ' A' ' 47' ' ' ILE . 53.7 Cg_endo -69.78 137.53 35.63 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.683 2.255 . . . . 0.0 112.359 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.05 -28.62 3.62 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.8 p -115.72 160.51 19.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.826 0.346 . . . . 0.0 111.11 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.0 t -96.97 48.7 1.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -79.6 157.0 27.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -173.91 126.4 0.37 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 177.68 -146.84 7.82 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.517 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.773 HG22 HG21 ' A' ' 38' ' ' VAL . 37.2 pt -127.08 168.4 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.328 . . . . 0.0 111.185 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 16.7 p90 -169.43 155.54 6.12 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.662 0.744 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.505 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 54.2 Cg_endo -69.69 167.75 23.43 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.24 . . . . 0.0 112.376 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.816 HD12 ' CD2' ' A' ' 43' ' ' TYR . 5.7 mm -85.8 -58.83 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.083 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.0 p -38.29 -31.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.505 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 9.7 m-85 -71.02 -48.88 50.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.429 ' O ' HG23 ' A' ' 61' ' ' VAL . 34.0 m -112.09 126.8 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.129 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.28 105.33 17.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.6 p -68.81 127.16 30.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.43 HD11 HG12 ' A' ' 11' ' ' ILE . 5.2 mp -80.16 -54.69 10.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -90.86 41.73 1.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -117.68 164.81 12.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 117.78 5.29 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.689 2.259 . . . . 0.0 112.368 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 56.6 p -164.97 112.58 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 98.5 p -74.23 -17.98 60.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.443 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.2 m -89.76 53.52 2.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 110.888 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.4 p -142.62 118.84 10.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.06 136.38 2.27 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.9 m -124.22 95.19 4.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.906 0.384 . . . . 0.0 110.812 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.0 m -107.89 107.43 18.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.857 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.56 78.65 0.17 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -137.09 133.65 6.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -115.97 139.48 50.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.85 0.357 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -140.46 164.36 30.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.9 mm -132.84 127.97 56.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.116 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 27' ' ' ARG . . . -64.8 100.38 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.139 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.557 ' O ' ' CD2' ' A' ' 14' ' ' PHE . 1.5 mmmm -68.04 -11.49 59.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.557 ' CD2' ' O ' ' A' ' 13' ' ' LYS . 82.9 m-85 -162.54 159.42 24.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -70.81 150.42 45.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -135.07 149.71 50.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -134.14 90.18 2.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -48.2 126.5 15.03 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -80.28 -33.96 37.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.869 0.366 . . . . 0.0 110.839 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.3 p -109.68 175.53 5.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -79.67 -14.81 58.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.907 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.594 ' O ' HG22 ' A' ' 22' ' ' VAL . 3.9 p -86.05 -4.19 9.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -103.31 136.92 42.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.5 ttp -100.45 110.85 23.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.4 t -72.52 158.1 36.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -161.7 157.47 24.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.478 ' O ' ' CB ' ' A' ' 12' ' ' ALA . 31.3 mtm-85 -96.66 -178.67 4.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.4 tttt -81.89 127.27 32.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.21 -28.19 12.68 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.484 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -48.78 151.55 1.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.814 0.34 . . . . 0.0 110.921 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.429 ' C ' HG13 ' A' ' 32' ' ' ILE . 14.1 mtp180 -85.75 158.93 19.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.429 HG13 ' C ' ' A' ' 31' ' ' ARG . 86.3 mt -154.22 106.1 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 85.5 m -72.24 106.16 4.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 28.2 mt -59.18 109.49 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.75 HD11 ' HE ' ' A' ' 46' ' ' ARG . 25.6 mt -87.86 -45.41 10.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -168.54 161.63 11.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -99.64 99.65 10.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.689 HG23 ' HB2' ' A' ' 44' ' ' GLU . 85.6 t -62.13 -59.35 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.087 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -124.78 171.62 9.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -64.44 -23.65 67.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.414 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 3.6 m-80 -123.7 29.93 6.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.486 ' N ' HD11 ' A' ' 58' ' ' ILE . 69.4 m95 -151.97 119.49 6.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.942 ' CD2' HD12 ' A' ' 58' ' ' ILE . 8.9 m-85 -106.67 134.63 49.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.689 ' HB2' HG23 ' A' ' 38' ' ' VAL . 32.3 tt0 -96.4 157.33 15.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.449 ' N ' ' HG2' ' A' ' 44' ' ' GLU . . . 171.27 175.46 39.73 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.476 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.75 ' HE ' HD11 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -120.29 -179.16 3.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.813 0.34 . . . . 0.0 110.867 -179.85 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.666 HG23 ' HD2' ' A' ' 48' ' ' PRO . 26.9 mm -121.31 138.67 28.42 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.609 0.719 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.666 ' HD2' HG23 ' A' ' 47' ' ' ILE . 53.8 Cg_endo -69.77 140.24 42.15 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.25 -34.37 2.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.524 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.9 p -109.67 169.66 8.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.772 0.32 . . . . 0.0 111.139 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 58.2 m -101.86 45.54 0.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.822 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.466 ' CG ' ' HB ' ' A' ' 47' ' ' ILE . 16.5 mmm-85 -78.79 139.94 38.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -162.83 114.86 1.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -173.73 -153.64 9.92 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.463 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.644 HG22 HG21 ' A' ' 38' ' ' VAL . 15.0 pt -117.0 169.79 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.913 0.387 . . . . 0.0 111.087 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.594 ' CE1' ' O ' ' A' ' 43' ' ' TYR . 16.2 p90 -174.13 153.78 2.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.691 0.757 . . . . 0.0 110.872 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.489 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.7 Cg_endo -69.79 166.93 25.97 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.642 2.228 . . . . 0.0 112.355 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.942 HD12 ' CD2' ' A' ' 43' ' ' TYR . 3.9 mm -84.22 -60.3 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 58' ' ' ILE . 24.4 p -34.75 -39.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.489 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 15.2 m-85 -63.43 -47.03 83.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' A' ' 58' ' ' ILE . 34.5 m -107.73 121.97 61.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.151 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -88.28 121.68 30.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 98.2 t -80.26 119.47 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 56.4 mt -76.93 -51.86 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 36.5 t -44.19 120.46 2.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 163.1 156.56 8.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -0.63 7.19 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.734 2.29 . . . . 0.0 112.308 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.1 t -82.01 138.69 34.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 43.1 t -92.58 154.04 18.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.494 179.975 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -102.43 132.65 48.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 0.0 110.84 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.1 m -52.93 157.75 1.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.814 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.95 -162.44 35.63 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.528 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 t -96.39 156.26 16.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 0.0 110.848 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -78.98 151.49 31.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.831 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.2 -82.73 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.462 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -174.66 152.34 13.95 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.473 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -117.92 159.7 22.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.929 0.395 . . . . 0.0 110.843 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.27 156.9 29.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.063 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.531 HD13 ' HA ' ' A' ' 31' ' ' ARG . 44.5 mm -129.25 130.92 67.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.28 117.35 11.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -75.53 -36.53 60.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -134.24 -176.36 4.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -94.41 128.51 41.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.558 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . 29.7 t80 -110.15 129.45 55.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -110.99 83.8 1.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.2 122.83 10.01 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.458 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -85.83 -39.48 17.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.928 0.394 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.7 p -89.11 157.75 18.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -61.68 -47.7 84.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.426 HG23 ' N ' ' A' ' 23' ' ' GLU . 34.1 m -47.32 -40.97 6.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.426 ' N ' HG23 ' A' ' 22' ' ' VAL . 74.7 mt-10 -75.91 161.94 28.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.9 tmm? -131.36 138.47 49.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.6 p -101.64 124.93 48.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 16' ' ' PHE . 2.2 p90 -124.19 148.16 47.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -87.29 138.35 31.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -56.47 99.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 134.14 -36.41 2.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.505 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -71.91 133.14 45.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.369 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.531 ' HA ' HD13 ' A' ' 11' ' ' ILE . 28.3 ptt180 -65.59 171.98 3.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.602 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 18.1 mt -136.34 107.44 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.183 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.1 m -62.36 91.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.161 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 44.2 mt -53.69 104.64 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.446 HD21 ' NH1' ' A' ' 46' ' ' ARG . 18.2 mt -86.55 -43.66 12.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -169.61 166.12 10.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -103.65 104.75 14.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.774 HG21 HG22 ' A' ' 55' ' ' ILE . 53.2 t -62.84 -62.61 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.1 174.89 7.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -64.53 -18.4 64.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.589 ' O ' ' CD1' ' A' ' 42' ' ' TRP . 25.1 m-80 -131.47 39.07 3.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.589 ' CD1' ' O ' ' A' ' 41' ' ' ASN . 74.9 m95 -159.15 110.6 2.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.556 ' CD2' HD12 ' A' ' 58' ' ' ILE . 13.8 m-85 -95.51 141.8 28.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.473 ' HB2' HG23 ' A' ' 38' ' ' VAL . 22.8 tt0 -101.73 141.88 33.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 177.91 162.23 27.51 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.471 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.446 ' NH1' HD21 ' A' ' 35' ' ' LEU . 7.0 ptp85 -123.22 176.67 5.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 110.855 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.553 HG23 ' HD2' ' A' ' 48' ' ' PRO . 8.4 mm -107.61 135.77 19.72 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.628 0.727 . . . . 0.0 111.127 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.553 ' HD2' HG23 ' A' ' 47' ' ' ILE . 54.2 Cg_endo -69.7 114.99 3.88 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.728 2.286 . . . . 0.0 112.369 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.6 -43.48 1.71 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.489 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 64.9 p -99.58 179.92 4.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.798 0.332 . . . . 0.0 111.133 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.5 m -112.09 46.74 1.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 47.3 mtt180 -97.47 95.43 7.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -127.29 146.29 50.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.939 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.42 -137.77 5.02 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.774 HG22 HG21 ' A' ' 38' ' ' VAL . 32.2 pt -126.92 169.38 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.891 0.377 . . . . 0.0 111.121 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.602 ' CZ ' HG21 ' A' ' 32' ' ' ILE . 16.7 p90 -175.04 155.02 1.78 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.603 0.715 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.595 ' HG2' ' CD1' ' A' ' 60' ' ' TYR . 53.6 Cg_endo -69.79 165.38 31.2 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.664 2.242 . . . . 0.0 112.356 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.556 HD12 ' CD2' ' A' ' 43' ' ' TYR . 3.0 mm -75.38 -62.91 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 58' ' ' ILE . 36.7 p -33.44 -50.74 0.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.168 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.595 ' CD1' ' HG2' ' A' ' 57' ' ' PRO . 8.8 m-85 -49.19 -47.69 45.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 58' ' ' ILE . 22.2 m -96.75 157.07 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.132 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.89 115.27 22.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.0 t -75.11 133.43 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 48.0 mt -101.13 -61.66 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.2 t -63.0 152.12 37.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 163.3 174.84 33.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.538 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -8.27 23.17 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.678 2.252 . . . . 0.0 112.338 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 81.4 p -130.09 150.27 51.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.827 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.5 m 55.93 44.14 26.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.463 -179.973 . . . . . . . . 0 0 . 1 stop_ save_