data_2l03_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 2l03 _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 ' 2' ' ' LEU . . . . . . . . . . . . . 18.4 tp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.818 0.342 . . . . 72.030000000000001 110.929 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.12 129.81 56.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 71.200000000000003 110.901 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 15.8 m -138.15 165.49 26.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 71.409999999999997 110.909 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -84.02 111.71 19.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 74.049999999999997 110.843 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 69.8 t -108.61 105.57 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 72.310000000000002 111.119 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.6 p -175.29 178.51 1.67 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 63.43 110.898 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -151.95 133.88 14.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 63.109999999999999 111.087 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -146.95 153.29 39.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 73.340000000000003 110.938 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -95.06 63.38 2.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 73.230000000000004 110.864 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.95 -136.15 1.94 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 71.439999999999998 112.467 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -65.88 -76.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 75.310000000000002 110.866 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -166.78 124.3 1.31 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 74.239999999999995 110.937 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.0 p -75.83 167.67 21.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 74.319999999999993 110.87 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -132.26 118.36 19.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 65.140000000000001 110.907 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -160.85 83.14 2.0 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.605 0.717 . . . . 74.239999999999995 110.876 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 117.72 5.26 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.685 2.257 . . . . 74.299999999999997 112.345 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.9 tpp -139.04 134.35 32.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 73.349999999999994 110.917 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 -70.59 134.08 47.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 73.219999999999999 110.845 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.465 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 4.6 m -76.05 157.27 83.54 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.65 0.738 . . . . 72.319999999999993 110.85 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.465 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.0 Cg_endo -69.75 177.46 5.55 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.674 2.249 . . . . 70.540000000000006 112.336 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.47 54.37 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 74.340000000000003 111.138 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.5 ptm -157.88 -38.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 75.230000000000004 110.93 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.426 HG12 ' HB3' ' A' ' 45' ' ' CYS . 37.8 t -84.29 147.24 5.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 75.540000000000006 111.155 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -147.8 30.18 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 44.130000000000003 111.113 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -158.71 150.2 20.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 74.019999999999996 110.896 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.5 m -104.64 136.52 44.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.509 . . . . 71.019999999999996 110.878 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 12.0 ttt -117.25 142.05 47.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 62.030000000000001 110.904 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 94.8 m -145.7 110.99 5.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 62.130000000000003 111.133 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.3 m -106.26 102.66 12.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 74.530000000000001 111.181 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -97.3 103.79 15.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 71.230000000000004 110.891 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -92.39 160.8 14.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 73.530000000000001 111.188 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -138.78 105.27 5.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 72.329999999999998 110.956 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -86.55 -65.14 1.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 74.439999999999998 110.961 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.544 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -124.19 161.98 44.35 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.58 0.705 . . . . 64.230000000000004 111.119 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.544 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.1 Cg_endo -69.8 -3.34 11.83 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.672 2.248 . . . . 62.32 112.319 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 66.5 p -119.61 -7.46 10.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 75.420000000000002 111.157 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 50.5 mtm180 -146.89 134.1 20.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 73.510000000000005 110.846 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -134.26 170.43 15.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 74.129999999999995 110.869 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -137.84 144.3 41.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 75.439999999999998 110.896 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.9 p -139.06 150.48 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 62.219999999999999 111.144 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.44 130.68 16.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 75.129999999999995 110.896 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.3 mttm -135.14 144.4 47.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 74.25 110.874 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.1 p -165.39 178.55 6.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 64.519999999999996 110.877 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.426 ' HB3' HG12 ' A' ' 24' ' ' VAL . 3.8 m -100.64 122.67 43.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 55.420000000000002 110.872 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.3 m -136.12 152.91 76.27 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.616 0.722 . . . . 74.310000000000002 111.13 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -44.66 1.95 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.727 2.285 . . . . 74.310000000000002 112.305 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -133.96 126.21 29.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 75.209999999999994 110.838 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.9 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 73.310000000000002 110.859 -179.957 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.4 m . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.936 0.398 . . . . 72.439999999999998 110.909 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.1 p -143.97 114.27 7.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 62.240000000000002 111.116 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 28.7 m -94.73 126.31 39.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 72.150000000000006 111.13 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.1 m -109.21 149.11 29.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.452 . . . . 71.010000000000005 110.846 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 2.8 m -136.07 144.25 45.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 70.400000000000006 110.873 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.3 p -156.61 170.39 22.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 74.450000000000003 110.864 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.1 tm0? -127.35 12.83 7.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 74.450000000000003 110.888 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.405 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 16.6 t80 -96.08 145.01 25.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 75.109999999999999 110.914 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -56.19 130.35 43.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 73.340000000000003 110.861 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.8 mt 50.02 33.62 7.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 74.109999999999999 110.936 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.405 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 28.0 p -65.61 -29.63 70.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 72.299999999999997 110.861 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 50.5 p-10 -93.58 25.8 3.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 74.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 74.349999999999994 112.493 180.0 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 25.5 tp . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.829 0.347 . . . . 73.299999999999997 110.928 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.37 139.96 53.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 74.420000000000002 110.882 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m -155.19 172.46 18.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 72.310000000000002 110.819 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -84.01 112.12 19.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 75.340000000000003 110.846 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 97.4 t -109.86 105.84 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 63.329999999999998 111.126 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.6 p -176.32 -177.75 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 73.450000000000003 110.921 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -153.95 132.14 11.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 75.219999999999999 111.075 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -145.13 150.89 37.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 71.400000000000006 110.937 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -91.19 64.21 5.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 73.019999999999996 110.884 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.74 -134.74 1.69 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.733 -0.746 . . . . 75.25 112.5 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -70.07 -75.5 0.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.799 0.333 . . . . 72.530000000000001 110.901 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -165.23 122.51 1.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 73.120000000000005 110.861 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.6 p -76.6 153.61 35.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 73.319999999999993 110.936 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -119.29 117.51 28.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 72.420000000000002 110.883 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -161.33 85.64 1.72 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.671 0.748 . . . . 70.150000000000006 110.9 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 124.97 11.6 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.615 2.21 . . . . 75.340000000000003 112.362 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -145.42 137.41 25.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 71.25 110.815 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -75.37 132.22 40.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 73.510000000000005 110.884 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.449 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 6.6 m -75.01 156.45 86.09 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.736 . . . . 70.030000000000001 110.874 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.449 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.7 Cg_endo -69.75 -175.28 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.621 2.214 . . . . 74.329999999999998 112.349 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.52 50.22 1.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 53.439999999999998 111.134 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.0 ptt? -152.25 -36.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 74.439999999999998 110.882 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.447 HG11 ' HB3' ' A' ' 45' ' ' CYS . 41.3 t -80.87 148.21 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 73.349999999999994 111.102 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -146.36 20.46 1.37 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 71.549999999999997 111.106 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -157.67 147.26 20.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 74.109999999999999 110.926 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.4 m -104.29 125.62 50.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 74.109999999999999 110.884 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 13.5 ttm -101.47 139.67 36.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 73.150000000000006 110.871 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 97.7 m -140.23 113.01 8.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 74.340000000000003 111.114 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -112.63 99.58 8.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 73.349999999999994 111.134 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -96.08 96.93 9.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 74.349999999999994 110.855 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.1 m -92.16 142.58 27.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 64.329999999999998 111.169 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -145.69 127.84 15.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 73.239999999999995 110.936 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -106.45 -41.21 5.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 74.310000000000002 110.925 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.544 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -133.23 161.63 62.61 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.518 0.675 . . . . 71.219999999999999 111.189 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.544 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.6 Cg_endo -69.75 -4.53 14.21 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.704 2.27 . . . . 63.530000000000001 112.302 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.0 p -124.91 -2.81 7.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 64.310000000000002 111.137 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -140.77 114.31 8.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 74.140000000000001 110.874 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.99 172.67 12.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 75.010000000000005 110.929 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -150.64 148.13 28.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 74.329999999999998 110.922 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.7 p -131.9 154.27 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 74.140000000000001 111.178 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.2 p -147.88 127.34 13.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 73.200000000000003 110.882 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -134.73 138.93 44.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 73.319999999999993 110.885 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.2 p -158.39 173.33 16.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 73.129999999999995 110.858 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.447 ' HB3' HG11 ' A' ' 24' ' ' VAL . 1.7 m -103.37 121.48 42.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 74.209999999999994 110.881 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 32.8 m -140.6 151.8 64.46 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.666 0.746 . . . . 62.420000000000002 111.131 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -47.13 0.99 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.683 2.255 . . . . 74.439999999999998 112.319 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 -106.22 141.54 37.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.422 . . . . 71.400000000000006 110.867 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 18.6 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 70.430000000000007 110.857 -179.924 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.992 0.425 . . . . 74.400000000000006 110.855 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -116.23 99.39 7.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 74.319999999999993 111.156 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.1 m -98.21 121.47 40.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 74.140000000000001 111.152 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.6 m -135.78 143.98 45.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 52.109999999999999 110.892 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.0 m -120.89 172.51 7.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 74.409999999999997 110.858 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -164.11 179.48 6.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 71.299999999999997 110.897 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -133.32 10.86 4.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 52.409999999999997 110.891 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.403 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 24.3 t80 -96.53 147.18 24.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 74.329999999999998 110.931 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -57.98 132.42 53.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.12 -0.491 . . . . 63.219999999999999 110.863 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.0 mt 48.81 32.97 3.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 75.019999999999996 110.918 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.403 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 29.4 p -66.29 -28.22 68.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 70.340000000000003 110.863 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 51.9 p-10 -93.74 26.67 3.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 71.129999999999995 110.901 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.779 -0.724 . . . . 72.420000000000002 112.479 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 21.0 tp . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.821 0.343 . . . . 64.409999999999997 110.929 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -119.86 130.67 54.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 72.430000000000007 110.92 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.4 m -139.44 167.43 22.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 74.310000000000002 110.842 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -84.05 112.5 20.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 73.310000000000002 110.87 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.8 t -109.53 105.05 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 62.32 111.13 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.1 p -176.78 163.49 2.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 60.119999999999997 110.914 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -136.0 130.4 33.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 70.200000000000003 111.092 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -144.75 148.37 34.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 72.430000000000007 110.907 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -95.44 63.66 2.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 73.25 110.889 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.52 -139.53 2.66 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 44.509999999999998 112.481 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -61.57 -77.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 73.109999999999999 110.867 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -166.01 125.15 1.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 74.400000000000006 110.913 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.9 p -77.33 166.84 22.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 32.210000000000001 110.88 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -136.29 117.46 14.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 72.120000000000005 110.869 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -160.94 83.42 1.95 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.615 0.721 . . . . 75.030000000000001 110.886 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 113.47 3.38 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.682 2.254 . . . . 72.450000000000003 112.375 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 35.0 tpp -135.14 134.49 40.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 75.219999999999999 110.868 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 -71.46 134.86 46.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 75.450000000000003 110.886 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.51 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 4.6 m -76.86 158.45 80.46 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.639 0.733 . . . . 74.519999999999996 110.869 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.51 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.4 Cg_endo -69.74 177.46 5.54 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.684 2.256 . . . . 74.540000000000006 112.365 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.05 53.62 1.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 75.209999999999994 111.138 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.41 ' HG2' ' HG2' ' A' ' 21' ' ' PRO . 9.5 ptp -157.74 -35.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 74.030000000000001 110.938 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.411 HG13 ' HB3' ' A' ' 45' ' ' CYS . 39.3 t -87.92 142.52 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 74.010000000000005 111.091 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -144.23 33.61 1.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 75.239999999999995 111.12 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -160.28 147.33 15.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 73.230000000000004 110.883 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.5 m -104.09 136.1 44.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 71.549999999999997 110.869 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.7 ttt -114.8 143.74 44.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 72.239999999999995 110.836 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 99.3 m -145.34 108.44 4.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 71.209999999999994 111.101 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.6 m -105.09 99.06 8.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 75.299999999999997 111.136 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -98.14 104.43 16.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 72.329999999999998 110.921 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.4 m -92.75 153.48 18.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 74.310000000000002 111.143 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -133.15 101.37 5.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 74.129999999999995 110.919 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -84.25 -68.84 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 75.340000000000003 110.953 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.51 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -115.12 160.68 33.0 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.55 0.691 . . . . 64.329999999999998 111.153 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.51 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.7 Cg_endo -69.82 -4.56 14.32 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.666 2.244 . . . . 73.400000000000006 112.392 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 69.2 p -124.07 -3.67 8.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 74.239999999999995 111.162 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.4 mtp85 -145.18 128.12 16.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 74.409999999999997 110.901 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 6.4 ptp -139.54 170.08 16.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 72.430000000000007 110.872 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -140.18 155.97 46.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 75.129999999999995 110.896 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.6 p -144.98 149.39 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 55.409999999999997 111.099 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 p -144.22 127.58 16.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 72.439999999999998 110.864 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -130.32 145.82 51.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 75.329999999999998 110.874 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.9 p -166.13 174.21 9.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 74.209999999999994 110.865 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.411 ' HB3' HG13 ' A' ' 24' ' ' VAL . 7.4 m -96.99 122.0 39.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 73.140000000000001 110.865 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.8 m -131.89 152.85 81.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.654 0.74 . . . . 75.099999999999994 111.137 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -47.13 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.66 2.24 . . . . 72.030000000000001 112.349 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 46.7 mmt-85 -134.23 119.68 19.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 75.530000000000001 110.922 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 32.7 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 72.329999999999998 110.906 -179.971 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.0 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.968 0.413 . . . . 71.019999999999996 110.822 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.4 118.94 21.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 64.019999999999996 111.13 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.3 m -94.89 111.21 23.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 75.120000000000005 111.148 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.7 m -96.91 137.39 36.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 75.310000000000002 110.813 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.6 m -128.16 139.83 52.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 75.099999999999994 110.878 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.4 p -154.98 169.83 23.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 63.43 110.89 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -127.18 13.14 7.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 72.409999999999997 110.951 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.42 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 17.2 t80 -95.92 145.7 25.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 74.450000000000003 110.924 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -56.57 130.92 47.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 74.219999999999999 110.902 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 31.5 mt 49.06 33.53 4.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 75.530000000000001 110.866 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 28.8 p -65.38 -28.73 69.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 63.350000000000001 110.906 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 51.0 p-10 -93.79 25.66 3.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 73.140000000000001 110.857 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.692 -0.766 . . . . 72.310000000000002 112.495 179.975 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.6 tp . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.825 0.345 . . . . 74.530000000000001 110.921 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.64 137.63 54.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 73.120000000000005 110.835 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 29.7 m -143.13 161.51 38.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 72.120000000000005 110.869 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -84.29 111.49 19.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 75.5 110.868 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.7 t -108.21 110.17 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 73.519999999999996 111.126 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.7 p -178.64 -176.92 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 54.149999999999999 110.894 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -153.61 132.47 12.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 63.420000000000002 111.126 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -144.41 153.9 42.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 74.329999999999998 110.88 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -95.5 75.73 3.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 72.409999999999997 110.908 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 178.43 -139.71 4.22 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 74.310000000000002 112.469 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -57.78 -76.67 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.851 0.358 . . . . 73.400000000000006 110.895 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -166.96 132.94 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 74.420000000000002 110.914 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.9 p -76.46 171.2 15.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 74.109999999999999 110.9 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -138.32 114.11 9.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 73.239999999999995 110.931 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -161.62 80.62 2.0 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.582 0.706 . . . . 71.329999999999998 110.872 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 115.6 4.16 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.69 2.26 . . . . 70.109999999999999 112.364 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 47.6 mmm -129.04 144.43 51.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 74.120000000000005 110.897 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -75.59 127.7 33.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 74.310000000000002 110.868 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.46 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 17.0 m -76.43 156.28 83.43 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.586 0.707 . . . . 72.310000000000002 110.902 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.46 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.6 Cg_endo -69.73 -173.42 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.649 2.232 . . . . 72.430000000000007 112.411 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.0 52.97 2.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 55.5 111.094 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.6 ptm -156.66 -36.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 73.230000000000004 110.881 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.479 HG12 ' HB3' ' A' ' 45' ' ' CYS . 9.4 t -79.91 139.32 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 72.219999999999999 111.136 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.31 7.81 2.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 73.420000000000002 111.097 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -145.31 154.3 42.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.231 -0.44 . . . . 73.099999999999994 110.934 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.7 m -103.95 141.44 36.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 62.530000000000001 110.879 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.2 ttt -116.26 138.34 51.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 64.010000000000005 110.834 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 67.8 m -142.71 110.34 5.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 51.020000000000003 111.134 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 54.2 m -106.94 99.95 9.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 74.530000000000001 111.129 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -98.1 99.44 10.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 73.239999999999995 110.891 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 48.0 m -94.35 150.86 19.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 75.340000000000003 111.143 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -134.81 106.2 6.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 75.530000000000001 110.919 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -84.66 -63.2 1.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 75.409999999999997 110.892 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.491 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -115.97 160.21 36.23 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.615 0.721 . . . . 72.239999999999995 111.137 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.491 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.5 Cg_endo -69.82 -3.49 12.15 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.622 2.215 . . . . 72.239999999999995 112.329 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.7 p -126.28 -1.82 6.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 72.099999999999994 111.133 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.9 mtp-105 -146.44 133.47 20.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 73.530000000000001 110.855 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 7.9 ptp -146.5 178.08 8.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 74.099999999999994 110.895 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -152.68 136.54 16.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 71.400000000000006 110.902 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.6 p -126.88 146.15 33.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 75.120000000000005 111.099 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 p -139.11 133.57 31.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 75.030000000000001 110.869 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -136.25 147.03 47.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 74.409999999999997 110.896 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.1 p -165.99 175.63 8.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 71.420000000000002 110.822 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.479 ' HB3' HG12 ' A' ' 24' ' ' VAL . 11.0 m -93.9 136.95 33.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.071 -0.513 . . . . 43.100000000000001 110.91 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.3 m -150.11 152.26 33.44 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.718 . . . . 73.510000000000005 111.153 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -48.07 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 75.310000000000002 112.338 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 27.9 mtp180 -134.75 121.92 21.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 73.239999999999995 110.933 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 29.7 t . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 75.420000000000002 110.885 -179.943 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.3 p . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.906 0.384 . . . . 73.439999999999998 110.869 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.82 107.82 9.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 72.030000000000001 111.118 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 98.3 m -95.29 118.54 32.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 74.310000000000002 111.173 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.4 p -106.4 148.89 27.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 41.009999999999998 110.847 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.9 m -137.6 144.72 42.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 74.040000000000006 110.912 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -148.78 177.0 9.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 72.540000000000006 110.862 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -130.18 8.26 5.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 74.340000000000003 110.927 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -95.8 147.3 23.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 73.530000000000001 110.912 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -61.14 134.54 57.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 70.040000000000006 110.823 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.7 mt 49.99 31.09 4.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 63.229999999999997 110.9 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.3 p -65.33 -30.43 71.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 73.329999999999998 110.842 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 51.1 p-10 -94.69 25.6 3.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 54.420000000000002 110.902 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 71.409999999999997 112.491 179.97 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.5 tp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.855 0.36 . . . . 74.450000000000003 110.895 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -122.61 135.17 54.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 71.109999999999999 110.867 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.5 m -139.93 165.31 27.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 44.219999999999999 110.837 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -82.99 113.87 20.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 71.310000000000002 110.836 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 77.1 t -109.15 103.76 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 75.120000000000005 111.126 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.6 p -176.05 166.21 2.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 55.310000000000002 110.856 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -141.9 131.01 23.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 71.319999999999993 111.115 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -144.75 149.94 36.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 75.010000000000005 110.949 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -92.0 64.08 4.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 74.25 110.865 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.03 -135.29 1.79 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 63.020000000000003 112.46 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -67.22 -78.52 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.824 0.345 . . . . 72.439999999999998 110.87 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -168.08 120.74 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 73.340000000000003 110.892 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.1 p -77.23 160.18 29.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 74.430000000000007 110.847 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -122.26 121.5 36.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 73.129999999999995 110.879 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -162.77 87.82 1.35 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.564 0.697 . . . . 73.200000000000003 110.874 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 121.23 7.92 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.654 2.236 . . . . 60.210000000000001 112.309 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -132.8 132.64 42.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 75.120000000000005 110.863 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -74.59 122.24 22.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 73.209999999999994 110.886 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.419 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 4.7 m -72.64 156.28 90.23 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.66 0.743 . . . . 74.25 110.889 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.1 Cg_endo -69.71 -167.81 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.702 2.268 . . . . 75.329999999999998 112.343 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.16 39.91 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 75.200000000000003 111.096 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 17.3 ptm -141.28 -31.18 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 73.530000000000001 110.895 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.465 HG13 ' HB3' ' A' ' 45' ' ' CYS . 6.1 t -88.81 139.6 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 72.030000000000001 111.096 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -138.98 10.83 2.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 65.450000000000003 111.113 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -145.16 151.32 38.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 72.209999999999994 110.917 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.2 m -104.35 139.72 38.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 73.010000000000005 110.905 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.8 ttp -115.29 140.01 49.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 64.219999999999999 110.886 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 85.8 m -144.26 110.21 5.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 73.319999999999993 111.168 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.2 m -108.4 100.99 10.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 73.349999999999994 111.11 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -97.26 97.57 9.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 74.450000000000003 110.869 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.0 m -81.34 159.18 24.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 71.549999999999997 111.146 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -133.85 105.73 6.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 72.549999999999997 110.907 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -91.65 -75.1 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 74.540000000000006 110.96 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.506 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -111.09 160.63 28.29 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.633 0.73 . . . . 74.150000000000006 111.13 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.506 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.6 Cg_endo -69.78 -4.56 14.28 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.69 2.26 . . . . 54.329999999999998 112.345 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.1 p -123.52 -4.69 8.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 73.329999999999998 111.19 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.4 mmt-85 -145.84 123.58 11.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 75.239999999999995 110.85 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 4.3 ptp -126.73 174.06 9.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 75.420000000000002 110.916 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -137.66 147.96 45.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 63.439999999999998 110.906 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.3 p -140.57 147.43 23.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 65.430000000000007 111.17 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -145.33 130.05 18.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 73.140000000000001 110.88 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -135.07 145.32 47.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 72.430000000000007 110.862 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 p -165.24 177.6 7.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 65.439999999999998 110.83 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.465 ' HB3' HG13 ' A' ' 24' ' ' VAL . 4.0 m -99.94 135.62 41.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 74.219999999999999 110.902 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.2 m -150.05 152.0 33.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.604 0.716 . . . . 75.129999999999995 111.154 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.418 ' HB2' ' HD2' ' A' ' 48' ' ' ARG . 53.4 Cg_endo -69.84 -46.19 1.28 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.65 2.233 . . . . 75.230000000000004 112.34 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.418 ' HD2' ' HB2' ' A' ' 47' ' ' PRO . 0.3 OUTLIER -133.7 127.69 33.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 74.409999999999997 110.888 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.4 t . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 74.299999999999997 110.888 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.87 0.366 . . . . 74.239999999999995 110.897 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.2 m -107.63 109.8 21.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 73.329999999999998 111.141 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.4 m -94.76 106.53 18.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 61.100000000000001 111.158 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.95 140.75 31.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 75.140000000000001 110.834 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.0 m -130.61 139.77 50.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 71.340000000000003 110.866 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -147.24 178.1 8.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 72.540000000000006 110.887 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -131.58 7.82 4.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 72.420000000000002 110.905 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -96.1 147.79 23.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 73.530000000000001 110.943 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -61.45 134.9 57.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 74.120000000000005 110.899 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 37.2 mt 50.05 30.59 4.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 72.219999999999999 110.897 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.2 p -65.4 -27.7 68.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 64.129999999999995 110.881 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 49.7 p-10 -93.15 26.05 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 72.400000000000006 110.924 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 71.010000000000005 112.513 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 15.1 tp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.81 0.338 . . . . 74.450000000000003 110.893 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -118.5 132.58 56.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.469 . . . . 64.329999999999998 110.892 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 15.0 m -138.44 164.55 29.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 65.400000000000006 110.892 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -83.89 112.42 20.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 75.519999999999996 110.876 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 73.6 t -110.46 106.97 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 74.329999999999998 111.142 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.0 p -175.92 -177.82 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 74.329999999999998 110.852 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -155.19 134.55 12.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 74.329999999999998 111.075 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -149.45 151.04 33.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 75.120000000000005 110.948 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -93.05 66.07 4.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 73.010000000000005 110.927 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.75 -138.89 2.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 74.209999999999994 112.537 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -64.03 -74.32 0.1 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.823 0.344 . . . . 72.239999999999995 110.89 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -166.61 125.69 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 74.420000000000002 110.85 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.0 p -75.94 165.84 24.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 75.040000000000006 110.919 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -133.31 117.78 17.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 65.519999999999996 110.902 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -160.85 83.93 1.94 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.597 0.713 . . . . 73.349999999999994 110.889 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 116.0 4.36 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.668 2.245 . . . . 72.219999999999999 112.331 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 32.0 tpp -134.31 134.19 41.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 74.420000000000002 110.89 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 -71.44 130.02 40.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 74.310000000000002 110.833 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.473 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 4.9 m -76.19 157.81 82.64 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.626 0.726 . . . . 63.109999999999999 110.879 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.473 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.7 Cg_endo -69.83 -169.61 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.247 . . . . 73.430000000000007 112.288 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.14 41.64 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 75.140000000000001 111.099 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.4 ptp -143.84 -28.07 0.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 64.409999999999997 110.892 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.472 HG12 ' HB3' ' A' ' 45' ' ' CYS . 5.8 t -94.39 138.15 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 74.099999999999994 111.103 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.55 6.34 3.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 53.149999999999999 111.089 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -139.99 154.51 47.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 72.140000000000001 110.908 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.4 m -104.54 137.07 42.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 63.219999999999999 110.819 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.2 ttm -113.14 139.67 48.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 72.510000000000005 110.864 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 85.7 m -141.94 129.64 21.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 74.109999999999999 111.138 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.6 m -126.09 99.4 5.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 73.230000000000004 111.169 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -97.69 100.23 11.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 72.109999999999999 110.859 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 99.3 m -95.95 143.96 26.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 73.030000000000001 111.154 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -139.24 122.4 16.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 73.209999999999994 110.923 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -105.02 -49.66 3.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 74.430000000000007 110.896 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.508 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -129.96 160.98 62.48 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.556 0.693 . . . . 74.25 111.169 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.508 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 54.0 Cg_endo -69.71 -5.39 16.06 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.672 2.248 . . . . 74.409999999999997 112.354 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.3 p -123.83 -1.7 8.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 74.340000000000003 111.135 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -143.98 115.53 8.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 73.010000000000005 110.856 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.4 ptp -132.78 167.65 19.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 73.120000000000005 110.91 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -142.78 138.89 30.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 71.239999999999995 110.894 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.3 p -133.58 151.3 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 73.5 111.169 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 p -152.67 132.12 12.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 73.129999999999995 110.879 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -135.45 149.28 49.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 72.109999999999999 110.878 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 86.1 p -165.62 175.71 8.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 74.219999999999999 110.892 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.472 ' HB3' HG12 ' A' ' 24' ' ' VAL . 1.8 m -98.66 137.67 36.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 63.100000000000001 110.858 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.2 m -146.91 152.61 44.46 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.659 0.742 . . . . 74.049999999999997 111.108 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -42.86 3.02 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.696 2.264 . . . . 75.319999999999993 112.326 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -133.64 130.65 38.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 73.540000000000006 110.838 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 27.4 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 63.020000000000003 110.85 -179.957 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.957 0.408 . . . . 54.329999999999998 110.847 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.47 133.23 54.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 64.239999999999995 111.163 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 23.3 m -112.34 134.83 53.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.438 . . . . 73.030000000000001 111.1 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.3 m -124.39 138.28 54.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 74.340000000000003 110.85 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.2 m -127.35 159.09 35.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 74.409999999999997 110.841 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -163.13 179.81 7.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 64.25 110.845 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -133.77 10.36 3.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 73.319999999999993 110.949 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -96.81 146.86 24.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 72.540000000000006 110.937 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -57.71 131.83 51.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 71.5 110.898 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 29.7 mt 49.82 32.86 5.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 71.420000000000002 110.898 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.1 p -65.66 -29.95 70.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 73.450000000000003 110.922 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 50.9 p-10 -93.06 25.67 3.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 71.239999999999995 110.941 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.738 . . . . 74.239999999999995 112.494 179.973 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 53.0 tp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.805 0.336 . . . . 64.310000000000002 110.909 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -110.72 134.97 52.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 72.239999999999995 110.866 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m -156.25 171.89 19.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 75.140000000000001 110.861 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -83.7 109.59 17.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 74.540000000000006 110.885 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 84.8 t -108.87 103.22 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 60.439999999999998 111.101 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.6 p -170.41 -178.13 2.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 64.329999999999998 110.873 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -153.13 134.25 14.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 74.200000000000003 111.084 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -148.27 150.93 34.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 72.349999999999994 110.925 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -95.81 63.79 2.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 74.409999999999997 110.853 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.81 -134.76 1.7 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 71.150000000000006 112.482 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -66.32 -79.5 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.828 0.346 . . . . 73.310000000000002 110.921 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -160.29 125.12 3.83 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.172 -0.467 . . . . 73.140000000000001 110.868 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.9 p -77.1 159.21 29.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 63.439999999999998 110.863 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -130.7 118.01 20.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 74.439999999999998 110.896 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -163.31 85.22 1.35 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.638 0.732 . . . . 75.510000000000005 110.902 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 113.89 3.51 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.713 2.275 . . . . 74.409999999999997 112.376 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -136.9 142.55 42.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 63.240000000000002 110.887 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -77.21 136.3 38.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 74.219999999999999 110.883 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.467 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 5.7 m -76.32 156.88 83.38 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.637 0.732 . . . . 72.519999999999996 110.866 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.467 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.1 Cg_endo -69.73 171.79 13.79 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.741 2.294 . . . . 73.099999999999994 112.346 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.65 57.74 1.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 73.409999999999997 111.055 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.412 ' HG2' ' HG2' ' A' ' 21' ' ' PRO . 2.9 ptt? -157.85 -36.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 74.510000000000005 110.863 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.2 t -93.79 155.33 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 72.530000000000001 111.116 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -151.31 28.69 0.65 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 73.349999999999994 111.09 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -152.17 142.76 22.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 74.329999999999998 110.92 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.3 m -104.94 127.97 53.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 71.420000000000002 110.941 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.9 ttp -115.99 140.73 48.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 62.420000000000002 110.871 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 55.2 m -138.44 115.37 10.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 73.109999999999999 111.107 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -104.05 98.93 8.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 74.230000000000004 111.16 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -95.87 98.81 10.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 71.030000000000001 110.841 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 90.3 m -85.87 142.52 28.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 73.510000000000005 111.142 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -135.64 105.83 6.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 71.239999999999995 110.893 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -97.64 -68.15 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 74.549999999999997 110.952 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.53 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -118.1 160.84 37.56 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.536 0.684 . . . . 75.510000000000005 111.162 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.53 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.7 Cg_endo -69.78 -3.99 13.13 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.648 2.232 . . . . 75.230000000000004 112.371 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 56.6 p -124.75 -2.93 7.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 75.310000000000002 111.155 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 42.7 mtt-85 -145.23 122.25 11.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 70.530000000000001 110.885 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.63 177.74 8.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 73.540000000000006 110.889 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -152.76 149.72 28.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 72.310000000000002 110.908 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.4 p -142.55 150.94 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 73.439999999999998 111.138 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.9 p -146.59 133.51 20.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 74.319999999999993 110.876 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -135.97 133.11 37.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 73.040000000000006 110.867 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.9 p -166.44 165.05 17.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 73.510000000000005 110.821 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 91.1 m -86.77 121.24 29.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 61.200000000000003 110.904 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.2 m -124.71 152.02 68.72 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.636 0.731 . . . . 70.120000000000005 111.114 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -48.81 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.663 2.242 . . . . 72.319999999999993 112.366 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 27.5 mmm-85 -107.4 146.99 30.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 75.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 71.120000000000005 110.84 -179.923 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 96.6 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.93 0.395 . . . . 74.409999999999997 110.888 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.6 m -91.15 133.41 35.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 65.530000000000001 111.179 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.78 129.95 55.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 73.209999999999994 111.137 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.8 m -121.98 135.83 54.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 74.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 22.1 m -118.23 148.09 42.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 71.310000000000002 110.869 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 p -159.57 175.06 13.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 71.439999999999998 110.865 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -137.17 14.08 3.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 75.439999999999998 110.912 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -96.76 147.34 24.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 75.329999999999998 110.957 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -54.59 128.76 33.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 70.409999999999997 110.877 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.3 mt 49.03 35.36 6.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 74.120000000000005 110.951 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.0 p -65.5 -28.27 69.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 74.230000000000004 110.884 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.5 p-10 -94.85 25.57 4.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 73.430000000000007 110.885 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.745 -0.741 . . . . 74.25 112.481 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 26.6 tp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.824 0.345 . . . . 74.209999999999994 110.882 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.6 128.23 50.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 72.329999999999998 110.848 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.6 m -137.75 164.28 29.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 74.420000000000002 110.917 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -83.1 102.17 11.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 73.019999999999996 110.891 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.9 t -99.88 113.18 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 71.400000000000006 111.136 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.4 p -178.55 171.83 1.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 60.409999999999997 110.876 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -144.86 127.03 15.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 42.340000000000003 111.123 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -145.1 148.52 33.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 73.319999999999993 110.895 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -95.33 66.35 2.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 72.510000000000005 110.92 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.9 -138.59 2.44 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.69 -0.767 . . . . 74.450000000000003 112.485 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -62.56 -76.1 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.808 0.337 . . . . 70.340000000000003 110.911 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.443 ' ND2' ' HZ1' ' A' ' 43' ' ' LYS . 1.1 m-20 -165.74 125.67 1.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 74.510000000000005 110.923 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.5 p -77.1 159.88 29.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 73.299999999999997 110.864 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -132.29 116.28 16.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 74.540000000000006 110.899 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -162.36 87.51 1.44 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.663 0.744 . . . . 75.25 110.884 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 122.37 9.05 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 2.258 . . . . 71.200000000000003 112.341 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -142.4 133.26 25.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 75.540000000000006 110.87 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -74.91 135.31 41.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 73.109999999999999 110.875 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.447 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 3.8 m -76.13 157.05 83.65 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.616 0.722 . . . . 74.219999999999999 110.89 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.447 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.6 Cg_endo -69.81 -171.47 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.713 2.275 . . . . 74.099999999999994 112.338 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.28 48.93 1.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 54.329999999999998 111.116 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.6 ptm -153.27 -33.69 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 74.129999999999995 110.857 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.416 HG11 ' HB3' ' A' ' 45' ' ' CYS . 14.1 t -89.43 142.95 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 70.019999999999996 111.118 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -144.72 30.11 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 64.209999999999994 111.123 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -159.04 150.09 20.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 74.25 110.902 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.6 m -104.39 126.39 51.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 74.140000000000001 110.867 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.0 ttp -102.69 139.11 38.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 73.5 110.908 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 76.0 m -137.04 135.48 37.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 74.400000000000006 111.13 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.6 m -136.28 98.06 3.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 74.040000000000006 111.164 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -97.56 102.01 13.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 73.510000000000005 110.92 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.3 m -89.09 156.93 18.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 73.519999999999996 111.151 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -133.43 102.64 5.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 73.010000000000005 110.929 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -84.88 -66.94 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 73.540000000000006 110.912 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.51 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -116.62 160.58 35.83 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.524 0.678 . . . . 64.049999999999997 111.184 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.51 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.8 Cg_endo -69.84 -5.2 15.69 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.267 . . . . 75.310000000000002 112.356 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.2 p -123.02 -3.9 8.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 75.319999999999993 111.101 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 44.7 mtt85 -145.29 130.74 18.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 75.349999999999994 110.867 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.74 174.4 10.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 73.230000000000004 110.862 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -141.88 155.32 45.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 72.030000000000001 110.875 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 8.5 p -140.87 147.74 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 74.319999999999993 111.115 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.29 126.41 16.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 53.340000000000003 110.788 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.443 ' HZ1' ' ND2' ' A' ' 13' ' ' ASN . 28.0 mttt -134.89 146.84 49.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 75.109999999999999 110.901 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.6 p -164.94 172.54 12.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 73.030000000000001 110.835 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.416 ' HB3' HG11 ' A' ' 24' ' ' VAL . 1.7 m -96.75 122.17 39.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 74.329999999999998 110.905 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 19.0 m -135.92 152.1 75.11 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.618 0.723 . . . . 72.409999999999997 111.161 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -44.58 2.01 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.679 2.253 . . . . 70.319999999999993 112.38 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -134.66 115.79 14.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 75.230000000000004 110.893 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 13.5 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 73.129999999999995 110.893 -179.929 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 82.3 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.97 0.415 . . . . 72.140000000000001 110.849 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 m -109.44 109.49 20.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.097 -0.501 . . . . 72.400000000000006 111.136 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 28.7 m -99.86 137.5 38.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 75.319999999999993 111.167 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.75 152.76 48.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 71.099999999999994 110.826 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.5 m -136.85 141.34 42.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 75.230000000000004 110.895 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.2 p -153.46 172.81 16.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 73.25 110.912 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -129.12 13.42 6.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 74.329999999999998 110.9 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.416 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 15.7 t80 -96.0 145.36 25.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 72.409999999999997 110.935 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -54.42 129.79 37.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 73.5 110.875 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.6 mt 47.77 35.69 4.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 72.450000000000003 110.968 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.416 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 28.0 p -66.37 -32.71 74.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 54.109999999999999 110.915 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 44.4 p-10 -83.6 -17.3 42.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 74.329999999999998 110.909 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.698 -0.763 . . . . 74.5 112.51 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 13.3 tp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.836 0.351 . . . . 73.120000000000005 110.891 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.2 129.99 55.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 73.209999999999994 110.855 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.1 m -136.54 166.86 22.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 72.409999999999997 110.904 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -84.05 114.6 21.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 73.329999999999998 110.86 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 86.8 t -112.93 104.56 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 73.420000000000002 111.114 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.8 p -177.73 -175.41 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 70.209999999999994 110.878 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -154.38 136.07 14.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 74.120000000000005 111.064 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -145.67 155.01 42.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 72.340000000000003 110.902 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -95.2 64.13 2.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 75.310000000000002 110.875 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.82 -133.75 1.55 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 73.200000000000003 112.494 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -70.42 -72.85 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 64.25 110.802 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -165.04 127.87 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 72.109999999999999 110.903 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.2 p -76.06 166.37 23.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 72.310000000000002 110.928 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -130.98 113.9 14.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 73.209999999999994 110.872 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -159.32 83.58 2.37 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.586 0.708 . . . . 72.140000000000001 110.897 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 120.03 6.88 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.683 2.255 . . . . 71.439999999999998 112.36 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.2 tpt -139.62 133.34 30.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 74.310000000000002 110.908 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -69.06 131.05 44.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 75.430000000000007 110.88 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.459 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 5.2 m -76.46 156.76 83.17 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.657 0.742 . . . . 64.239999999999995 110.891 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.459 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.3 Cg_endo -69.77 179.07 3.96 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.695 2.263 . . . . 75.120000000000005 112.32 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.07 55.42 1.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 72.5 111.081 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.1 ptm -157.67 -34.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 74.450000000000003 110.872 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.462 HG11 ' HB3' ' A' ' 45' ' ' CYS . 16.8 t -90.79 144.05 9.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 74.430000000000007 111.158 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -140.9 11.41 2.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 72.310000000000002 111.079 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -144.09 154.91 43.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 73.540000000000006 110.935 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.6 m -104.04 140.58 37.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 73.239999999999995 110.861 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.7 ttt -121.9 140.66 52.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 72.439999999999998 110.897 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 94.1 m -146.28 115.56 7.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 75.430000000000007 111.13 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.1 m -113.72 102.14 9.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 73.420000000000002 111.142 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -98.23 109.99 22.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 75.430000000000007 110.878 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.9 158.04 16.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 75.230000000000004 111.131 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -139.64 101.51 4.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.253 -0.43 . . . . 73.200000000000003 110.91 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -84.58 -57.8 2.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.079 -0.51 . . . . 73.409999999999997 110.906 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.51 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -123.6 160.4 51.12 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.599 0.714 . . . . 74.519999999999996 111.124 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.51 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.6 Cg_endo -69.76 -3.73 12.6 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.654 2.236 . . . . 73.200000000000003 112.358 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 p -125.79 -1.53 7.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 64.319999999999993 111.132 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -145.88 129.55 17.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 74.530000000000001 110.891 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -146.05 176.56 9.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 73.510000000000005 110.909 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.74 144.74 25.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 73.319999999999993 110.919 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.0 p -128.64 146.73 33.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.254 -0.43 . . . . 63.109999999999999 111.148 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.02 132.59 34.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 71.040000000000006 110.881 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -134.79 144.04 47.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 73.129999999999995 110.908 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 63.6 p -162.3 178.57 8.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 74.109999999999999 110.827 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.462 ' HB3' HG11 ' A' ' 24' ' ' VAL . 3.3 m -103.25 128.7 50.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 71.150000000000006 110.876 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.1 m -143.13 152.29 57.72 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.592 0.71 . . . . 71.409999999999997 111.135 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -45.63 1.49 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.673 2.249 . . . . 72.109999999999999 112.328 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 44.3 mtm180 -134.03 130.18 37.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 75.120000000000005 110.886 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.6 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 75.219999999999999 110.877 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.4 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.907 0.384 . . . . 74.010000000000005 110.87 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 18.7 p -119.52 116.17 25.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 70.400000000000006 111.14 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.1 m -96.56 109.26 21.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 73.209999999999994 111.114 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.0 t -93.64 147.05 23.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 75.510000000000005 110.83 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.2 m -137.1 137.37 39.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 70.200000000000003 110.894 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.04 179.98 7.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 73.409999999999997 110.871 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -134.49 9.7 3.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 71.25 110.915 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -96.42 147.81 23.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.426 . . . . 74.420000000000002 110.893 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -59.21 133.34 56.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.089 -0.505 . . . . 71.310000000000002 110.875 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.9 mt 48.92 32.71 3.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 72.340000000000003 110.888 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.3 p -66.52 -27.42 67.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 70.349999999999994 110.881 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 44.1 p-10 -94.12 26.54 3.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 53.240000000000002 110.903 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 72.430000000000007 112.52 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.5 tp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.734 0.302 . . . . 75.239999999999995 110.951 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.94 131.75 56.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 73.329999999999998 110.894 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.4 m -140.23 167.12 22.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 73.439999999999998 110.907 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -84.11 112.36 20.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 71.030000000000001 110.825 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 63.9 t -109.07 103.74 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 75.530000000000001 111.162 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.9 p -175.71 168.47 3.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 75.040000000000006 110.892 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -142.17 129.07 20.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 60.240000000000002 111.122 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -144.3 146.86 32.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 73.310000000000002 110.932 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -90.11 64.51 6.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 73.319999999999993 110.86 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.13 -140.67 2.93 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.748 . . . . 64.510000000000005 112.49 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -62.22 -77.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.342 . . . . 72.230000000000004 110.875 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -167.07 121.19 1.02 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 74.310000000000002 110.904 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.5 p -76.54 158.16 31.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 74.310000000000002 110.89 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -123.56 119.48 30.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 72.310000000000002 110.861 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -160.55 83.83 2.03 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.581 0.705 . . . . 61.119999999999997 110.835 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 117.75 5.27 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.708 2.272 . . . . 74.310000000000002 112.321 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -137.84 133.42 33.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 70.5 110.887 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -70.58 131.98 44.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 74.5 110.889 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.483 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 5.0 m -75.19 157.71 84.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.619 0.724 . . . . 73.019999999999996 110.88 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.483 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.4 Cg_endo -69.73 179.04 3.96 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.713 2.275 . . . . 74.5 112.35 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.39 52.68 1.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 74.319999999999993 111.118 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.7 ptt? -156.96 -37.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 73.409999999999997 110.892 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.429 HG12 ' HB3' ' A' ' 45' ' ' CYS . 22.0 t -83.52 143.42 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 75.430000000000007 111.143 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.26 32.32 1.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 61.109999999999999 111.095 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -161.17 148.18 14.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 75.219999999999999 110.932 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.4 m -104.61 130.39 52.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 63.43 110.91 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 17.4 ttp -108.43 142.59 38.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 75.549999999999997 110.83 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 98.6 m -142.74 105.72 4.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 62.340000000000003 111.126 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 52.3 m -103.65 97.54 7.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 74.310000000000002 111.132 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -97.11 98.98 10.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 75.329999999999998 110.878 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.9 m -86.54 157.15 19.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 71.040000000000006 111.153 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -134.85 104.85 6.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.259 -0.428 . . . . 73.219999999999999 110.945 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -83.86 -62.5 1.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 75.409999999999997 110.908 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.539 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -124.33 161.25 48.77 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.614 0.721 . . . . 71.200000000000003 111.114 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.539 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.3 Cg_endo -69.81 -2.49 10.3 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.685 2.257 . . . . 72.140000000000001 112.338 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.5 p -122.1 -5.21 8.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 74.409999999999997 111.137 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -147.49 136.79 22.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 74.450000000000003 110.882 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.41 175.05 10.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 74.129999999999995 110.879 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -145.44 153.58 41.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 71.140000000000001 110.908 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.3 p -137.81 148.36 25.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 74.540000000000006 111.119 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.98 115.18 8.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 62.049999999999997 110.893 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -120.62 145.31 47.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 75.239999999999995 110.893 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 52.2 p -165.11 167.58 18.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 53.229999999999997 110.859 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.429 ' HB3' HG12 ' A' ' 24' ' ' VAL . 3.3 m -92.2 121.05 33.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 60.240000000000002 110.9 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.3 m -134.39 152.32 77.8 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.647 0.736 . . . . 74.450000000000003 111.128 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -42.27 3.51 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.697 2.265 . . . . 63.439999999999998 112.317 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? -134.02 127.89 33.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 72.430000000000007 110.87 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 35.4 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 62.409999999999997 110.893 -179.93 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.8 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.001 0.429 . . . . 70.329999999999998 110.857 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.21 126.27 52.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 73.340000000000003 111.124 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.5 m -98.11 107.3 19.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 62.310000000000002 111.143 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.7 m -94.54 131.83 39.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 74.430000000000007 110.85 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.0 m -124.51 139.56 53.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 55.340000000000003 110.899 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.4 p -155.0 170.62 21.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 72.310000000000002 110.848 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.8 tm0? -127.49 14.19 7.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 74.409999999999997 110.906 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.436 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 17.7 t80 -96.71 146.15 25.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 74.420000000000002 110.898 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -56.48 130.47 45.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.055 -0.52 . . . . 73.25 110.88 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.9 mt 49.21 33.65 5.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 71.299999999999997 110.903 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.436 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 29.1 p -66.23 -27.97 68.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 73.519999999999996 110.859 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 46.6 p-10 -93.8 26.5 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 75.200000000000003 110.9 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.749 . . . . 74.329999999999998 112.496 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 58.3 tp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.833 0.349 . . . . 72.439999999999998 110.881 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.416 ' HA ' ' HA ' ' A' ' 19' ' ' ARG . 1.6 m-20 -116.7 139.69 50.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 72.239999999999995 110.854 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m -155.92 176.55 12.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 74.219999999999999 110.891 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -87.87 112.44 22.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 75.209999999999994 110.873 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 72.8 t -111.04 109.59 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 74.340000000000003 111.135 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.5 p -176.85 177.48 1.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 73.409999999999997 110.924 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -150.22 134.11 16.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 75.209999999999994 111.142 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -153.32 146.85 24.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 72.129999999999995 110.854 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -95.28 67.42 2.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 73.329999999999998 110.926 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.67 -136.07 1.93 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.758 -0.734 . . . . 73.129999999999995 112.494 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.6 -77.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 55.020000000000003 110.838 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -166.45 123.17 1.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 55.409999999999997 110.876 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.0 p -77.06 154.66 33.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 74.310000000000002 110.897 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -127.99 122.37 32.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 74.140000000000001 110.866 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -161.94 87.93 1.5 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.646 0.736 . . . . 64.329999999999998 110.876 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 106.96 1.76 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.669 2.246 . . . . 74.439999999999998 112.363 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.6 tpp -139.27 134.88 33.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 65.420000000000002 110.883 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.416 ' HA ' ' HA ' ' A' ' 3' ' ' ASP . 12.3 ttm-85 -77.49 151.81 34.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 74.25 110.906 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.493 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 3.2 m -81.97 159.4 65.77 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.637 0.732 . . . . 62.310000000000002 110.896 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.493 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.2 Cg_endo -69.75 -177.79 2.04 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 63.539999999999999 112.327 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.78 52.55 1.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 40.200000000000003 111.119 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -157.98 -39.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 70.349999999999994 110.897 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 53.4 t -85.88 148.36 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 75.430000000000007 111.164 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -147.42 32.76 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 70.510000000000005 111.071 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -156.61 153.47 28.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 74.25 110.963 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.8 m -110.1 133.12 53.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.503 . . . . 74.340000000000003 110.892 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.3 ttt -113.33 137.05 52.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 75.530000000000001 110.875 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.7 m -135.43 125.42 25.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 72.439999999999998 111.109 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.0 m -126.59 97.54 5.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 74.230000000000004 111.165 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -95.22 100.6 12.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 73.209999999999994 110.876 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.2 m -94.16 138.88 31.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 71.310000000000002 111.155 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -142.95 127.97 18.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 74.5 110.946 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -105.26 -45.33 4.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 73.230000000000004 110.952 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.569 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -136.26 162.75 54.63 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.627 0.727 . . . . 70.340000000000003 111.111 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.569 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 54.1 Cg_endo -69.72 -2.33 9.95 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.653 2.235 . . . . 73.0 112.368 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.7 p -122.35 -2.65 9.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 74.200000000000003 111.193 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -147.3 120.15 8.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 63.310000000000002 110.905 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.6 ptp -144.9 176.5 9.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 62.439999999999998 110.852 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -153.21 154.05 33.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 74.349999999999994 110.93 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.2 p -139.05 149.51 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 74.030000000000001 111.128 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.31 127.04 15.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 75.409999999999997 110.855 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.3 mttt -135.43 140.1 44.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 72.099999999999994 110.892 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.1 p -165.9 174.16 9.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 73.209999999999994 110.868 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.0 m -98.13 125.61 43.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 63.340000000000003 110.845 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 28.3 m -132.3 153.0 81.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.596 0.712 . . . . 74.120000000000005 111.103 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -42.74 3.18 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.654 2.236 . . . . 73.439999999999998 112.353 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -134.48 107.27 7.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 75.400000000000006 110.915 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 52.6 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 74.450000000000003 110.886 -179.926 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.9 m . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.92 0.39 . . . . 71.230000000000004 110.877 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.1 m -116.65 113.43 22.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 61.450000000000003 111.133 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 22.5 m -106.4 141.12 38.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 71.340000000000003 111.174 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.2 t -132.24 155.2 48.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 74.420000000000002 110.849 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.5 m -133.96 142.28 47.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.5 . . . . 74.340000000000003 110.882 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.9 p -151.03 177.48 10.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 52.020000000000003 110.866 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -139.14 12.95 2.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 72.530000000000001 110.904 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.407 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 30.3 t80 -95.99 148.9 22.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 74.519999999999996 110.894 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -53.98 129.07 32.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 74.409999999999997 110.861 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.1 mt 47.66 35.67 4.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 72.439999999999998 110.948 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.407 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 27.3 p -65.37 -29.56 70.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 74.25 110.861 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.5 p-10 -94.29 25.38 3.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 71.420000000000002 110.887 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.783 -0.722 . . . . 71.409999999999997 112.482 179.978 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 35.4 tp . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.798 0.333 . . . . 73.219999999999999 110.945 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -120.65 128.31 52.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 74.420000000000002 110.866 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.3 m -138.18 163.65 31.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 72.25 110.862 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -83.57 107.44 16.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 73.329999999999998 110.874 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.5 t -104.84 108.87 25.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 72.120000000000005 111.119 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.4 p -175.52 160.69 2.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 55.43 110.868 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -134.92 130.71 36.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 74.140000000000001 111.098 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -144.48 151.27 38.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 73.420000000000002 110.877 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 -95.11 63.72 2.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 75.530000000000001 110.893 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.84 -137.99 2.31 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.764 -0.732 . . . . 74.329999999999998 112.509 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -64.7 -77.54 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.816 0.341 . . . . 61.420000000000002 110.844 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -167.61 122.33 1.01 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 74.450000000000003 110.858 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.5 p -76.24 177.92 6.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 72.010000000000005 110.866 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -143.82 120.99 11.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 62.509999999999998 110.863 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -163.52 87.47 1.24 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.656 0.741 . . . . 71.340000000000003 110.896 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 122.13 8.83 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.713 2.276 . . . . 73.540000000000006 112.353 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 49.0 mmm -141.14 137.78 32.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 74.129999999999995 110.866 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -75.46 133.96 40.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 74.510000000000005 110.941 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.468 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 3.9 m -76.07 157.74 82.95 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.616 0.722 . . . . 72.230000000000004 110.905 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.468 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.5 Cg_endo -69.74 175.21 8.39 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.727 2.285 . . . . 64.019999999999996 112.316 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.14 52.46 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 72.129999999999995 111.103 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.8 ptp -156.88 -39.48 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 74.319999999999993 110.865 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.417 HG11 ' HB3' ' A' ' 45' ' ' CYS . 39.3 t -82.01 146.04 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 62.399999999999999 111.14 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -147.63 31.36 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 70.030000000000001 111.053 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -158.83 147.26 18.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 73.519999999999996 110.913 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.6 m -104.82 128.11 52.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 71.349999999999994 110.904 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.9 ttm -113.68 143.91 43.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 71.319999999999993 110.864 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.4 m -145.94 118.42 8.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 72.310000000000002 111.158 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -107.16 100.1 9.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 73.540000000000006 111.143 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -97.43 97.53 9.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 75.319999999999993 110.875 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.0 m -91.54 115.49 28.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 73.140000000000001 111.13 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -105.65 120.5 41.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 63.119999999999997 110.895 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -105.59 -69.1 0.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 73.109999999999999 110.939 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.543 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -117.22 161.2 34.22 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.574 0.702 . . . . 73.310000000000002 111.148 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.543 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 54.0 Cg_endo -69.73 -5.13 15.44 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.692 2.261 . . . . 72.019999999999996 112.37 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.7 p -121.85 -5.26 9.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 75.340000000000003 111.189 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -144.45 122.75 12.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 75.530000000000001 110.815 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -141.52 166.04 25.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 74.230000000000004 110.889 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -137.81 145.71 42.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 74.0 110.927 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.4 p -142.8 145.16 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 72.409999999999997 111.104 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.23 126.91 13.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 75.0 110.899 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.3 145.85 51.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 73.439999999999998 110.859 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 82.8 p -166.05 171.99 11.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 72.530000000000001 110.9 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.417 ' HB3' HG11 ' A' ' 24' ' ' VAL . 1.7 m -94.81 123.57 38.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 61.130000000000003 110.856 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.4 m -133.01 152.58 80.01 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.616 0.722 . . . . 74.409999999999997 111.127 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -44.96 1.78 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.725 2.284 . . . . 74.140000000000001 112.324 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -134.32 107.46 7.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 73.239999999999995 110.865 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.7 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 64.400000000000006 110.92 -179.968 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.942 0.401 . . . . 75.140000000000001 110.876 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.0 131.17 53.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 72.340000000000003 111.138 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 29.4 m -100.51 131.58 46.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 73.519999999999996 111.132 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 m -113.73 129.97 56.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 72.150000000000006 110.871 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.7 m -122.62 134.86 54.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 65.340000000000003 110.865 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.6 p -155.91 173.25 17.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 71.209999999999994 110.911 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.5 tm0? -131.12 12.35 5.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 74.099999999999994 110.909 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.406 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 14.5 t80 -95.75 144.09 26.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 74.310000000000002 110.915 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -54.63 129.8 37.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.081 -0.508 . . . . 61.25 110.873 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 17.4 mt 48.58 35.38 6.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 73.450000000000003 110.945 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.406 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 26.5 p -65.78 -34.17 77.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 71.140000000000001 110.889 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 49.6 p-10 -83.5 -17.47 41.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 73.019999999999996 110.885 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 C-N-CA 120.749 -0.739 . . . . 51.310000000000002 112.504 179.957 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 57.3 tp . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.804 0.335 . . . . 72.340000000000003 110.944 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.411 ' HA ' ' HA ' ' A' ' 19' ' ' ARG . 1.6 m-20 -113.9 138.78 49.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 73.540000000000006 110.887 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m -155.97 171.58 19.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 74.129999999999995 110.906 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -84.39 111.35 19.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 73.420000000000002 110.824 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 94.7 t -111.96 112.36 40.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 71.319999999999993 111.111 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 30.8 p -175.13 177.11 1.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 73.219999999999999 110.881 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.84 136.55 20.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 64.299999999999997 111.094 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -157.01 147.77 21.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 74.439999999999998 110.892 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -95.04 66.74 3.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 73.430000000000007 110.909 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.07 -133.93 1.56 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 72.040000000000006 112.483 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -67.4 -78.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 72.439999999999998 110.843 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -167.14 119.14 0.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 65.420000000000002 110.886 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 32.1 p -77.53 151.82 34.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 70.219999999999999 110.884 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -120.55 127.8 52.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 71.109999999999999 110.912 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -165.49 89.27 0.94 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.619 0.723 . . . . 75.200000000000003 110.935 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 107.92 1.97 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.699 2.266 . . . . 71.530000000000001 112.338 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.5 ttm -138.37 134.63 34.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 71.329999999999998 110.891 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.411 ' HA ' ' HA ' ' A' ' 3' ' ' ASP . 13.2 ttm-85 -76.9 151.15 35.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 75.510000000000005 110.903 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.489 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 16.1 m -83.93 158.1 62.35 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.676 0.75 . . . . 71.329999999999998 110.851 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.489 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.0 Cg_endo -69.75 174.05 10.07 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.266 . . . . 72.319999999999993 112.353 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.34 55.79 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 73.230000000000004 111.118 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.7 ptp -158.15 -38.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 71.329999999999998 110.883 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.3 t -92.13 149.93 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 71.030000000000001 111.151 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -148.11 39.83 0.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 75.310000000000002 111.079 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -160.59 143.82 13.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 72.019999999999996 110.91 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.7 m -105.86 133.86 49.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 71.099999999999994 110.834 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.3 ttt -124.03 144.27 49.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 73.25 110.887 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 60.6 m -143.96 118.29 9.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 54.420000000000002 111.132 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.15 101.67 10.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 73.430000000000007 111.121 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -96.17 99.77 11.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 62.409999999999997 110.864 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.9 m -94.14 141.24 28.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 73.409999999999997 111.126 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -143.45 123.02 13.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 74.219999999999999 110.938 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -105.07 -46.83 4.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 73.200000000000003 110.916 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.525 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -130.01 161.24 61.04 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.597 0.713 . . . . 74.420000000000002 111.178 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.525 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 54.2 Cg_endo -69.7 -5.12 15.41 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.666 2.244 . . . . 71.239999999999995 112.353 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.3 p -124.04 -2.85 8.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 70.510000000000005 111.145 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -141.47 114.94 8.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 72.519999999999996 110.836 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.23 175.22 10.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 65.420000000000002 110.863 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -152.41 155.9 38.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 73.519999999999996 110.921 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.9 p -140.84 150.54 20.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 63.340000000000003 111.156 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 p -144.44 122.39 12.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 64.140000000000001 110.891 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.9 mttm -129.53 133.35 47.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 75.530000000000001 110.918 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.3 p -166.6 175.06 8.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 70.120000000000005 110.845 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 95.4 m -91.89 136.28 33.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 75.140000000000001 110.901 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 31.8 m -138.11 152.94 72.83 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.589 0.709 . . . . 71.140000000000001 111.143 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -46.11 1.34 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.709 2.273 . . . . 74.099999999999994 112.322 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 38.7 mtp180 -137.68 109.19 6.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 75.319999999999993 110.838 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 49.7 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 73.239999999999995 110.894 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.9 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.973 0.416 . . . . 72.230000000000004 110.841 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.49 117.29 24.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.496 . . . . 73.340000000000003 111.145 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.5 m -98.61 143.42 29.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 73.099999999999994 111.143 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 t -126.19 148.49 49.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 74.430000000000007 110.872 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.9 m -134.79 138.01 43.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 72.129999999999995 110.853 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.0 p -156.04 175.48 13.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 64.519999999999996 110.88 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -137.82 13.08 2.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 73.209999999999994 110.918 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -95.86 148.45 22.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 75.549999999999997 110.903 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -53.98 129.48 34.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 64.450000000000003 110.842 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 28.2 mt 47.5 35.91 4.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 73.129999999999995 110.884 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 27.0 p -65.32 -31.41 72.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 62.43 110.901 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -94.04 25.64 3.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 72.25 110.891 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 C-N-CA 120.748 -0.739 . . . . 74.450000000000003 112.452 179.98 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 39.7 tp . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.805 0.336 . . . . 73.040000000000006 110.929 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.27 139.11 53.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 73.439999999999998 110.816 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m -154.72 173.91 15.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 64.219999999999999 110.896 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -83.92 115.71 22.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 73.329999999999998 110.875 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.5 t -113.46 102.31 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 71.409999999999997 111.142 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.5 p -175.81 -176.46 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 73.129999999999995 110.89 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -153.81 137.05 15.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.464 . . . . 75.409999999999997 111.129 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -150.1 136.65 19.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 74.010000000000005 110.935 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.433 ' HA ' ' HA ' ' A' ' 40' ' ' LYS . 0.7 OUTLIER -76.78 64.49 2.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 54.25 110.875 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.71 -138.09 2.33 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.774 -0.727 . . . . 22.399999999999999 112.522 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.69 -77.54 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.825 0.345 . . . . 73.340000000000003 110.856 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -165.58 122.73 1.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 74.219999999999999 110.868 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.3 p -76.71 157.77 31.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 63.310000000000002 110.88 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -121.9 117.75 27.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 73.340000000000003 110.923 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -161.73 84.87 1.68 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.618 0.723 . . . . 71.099999999999994 110.877 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 125.94 12.72 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.658 2.239 . . . . 51.340000000000003 112.373 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.8 tpp -145.22 138.57 26.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 74.230000000000004 110.904 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.0 tpp180 -75.28 129.93 38.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 65.219999999999999 110.88 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.473 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 5.9 m -75.5 157.34 84.55 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.601 0.715 . . . . 74.340000000000003 110.933 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.473 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.3 Cg_endo -69.68 177.26 5.7 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.686 2.257 . . . . 74.420000000000002 112.363 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.8 55.64 1.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 65.140000000000001 111.12 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 14.2 ptp -158.13 -39.09 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 74.549999999999997 110.841 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.471 HG11 ' HB3' ' A' ' 45' ' ' CYS . 20.8 t -78.05 141.07 16.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 74.340000000000003 111.12 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -139.16 11.31 2.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 72.349999999999994 111.127 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -147.69 147.62 30.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 75.450000000000003 110.883 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.9 m -103.86 125.4 50.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.505 . . . . 53.140000000000001 110.904 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.6 ttp -100.99 143.54 31.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 73.209999999999994 110.863 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 81.9 m -145.48 109.88 4.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 72.409999999999997 111.153 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.56 100.17 9.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 72.209999999999994 111.147 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -96.13 101.62 13.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 75.349999999999994 110.89 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.7 m -95.41 134.32 38.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 74.099999999999994 111.105 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.4 p90 -135.24 116.34 14.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 71.340000000000003 110.937 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -99.38 -46.33 5.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.505 . . . . 75.219999999999999 110.961 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.533 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -131.85 161.29 63.43 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.583 0.706 . . . . 71.409999999999997 111.155 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.533 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 54.0 Cg_endo -69.7 -5.42 16.14 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.722 2.282 . . . . 71.120000000000005 112.342 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.8 p -123.71 -2.34 8.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 73.030000000000001 111.128 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -142.48 113.97 7.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 74.200000000000003 110.867 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.7 ptp -137.12 175.87 9.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 73.299999999999997 110.898 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 10' ' ' ASN . 18.3 tptm -154.57 145.45 22.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 73.019999999999996 110.907 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.0 p -131.66 152.19 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 74.549999999999997 111.168 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.2 p -145.81 127.89 15.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 63.119999999999997 110.889 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -133.14 140.88 47.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 74.420000000000002 110.878 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 95.1 p -161.3 170.71 19.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 74.040000000000006 110.862 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.471 ' HB3' HG11 ' A' ' 24' ' ' VAL . 8.6 m -99.01 125.62 44.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 74.329999999999998 110.928 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 28.6 m -139.09 152.68 70.42 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.609 0.719 . . . . 62.109999999999999 111.121 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 -40.19 5.51 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.694 2.262 . . . . 64.25 112.378 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.6 mmt85 -133.86 127.12 31.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 75.549999999999997 110.902 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 42.1 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 73.519999999999996 110.887 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.89 0.376 . . . . 75.430000000000007 110.893 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.75 114.13 21.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 74.120000000000005 111.109 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.6 m -94.67 113.42 25.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 74.430000000000007 111.161 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.65 153.35 18.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 72.219999999999999 110.833 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 13.7 m -138.94 143.72 38.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 74.239999999999995 110.876 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.7 p -156.45 179.98 8.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 73.420000000000002 110.875 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -139.95 12.4 2.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 74.120000000000005 110.901 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.412 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 25.8 t80 -96.03 148.09 23.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 74.310000000000002 110.909 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -54.4 128.83 33.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.103 -0.499 . . . . 75.230000000000004 110.902 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.6 mt 48.89 34.98 5.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 75.209999999999994 110.913 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.412 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 27.6 p -65.6 -27.08 68.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 63.450000000000003 110.874 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 51.6 p30 -94.6 26.27 3.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 72.109999999999999 110.856 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.747 . . . . 54.100000000000001 112.492 179.939 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 34.8 tp . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.782 0.325 . . . . 75.219999999999999 110.971 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.44 130.44 53.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 71.129999999999995 110.862 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.7 m -140.59 163.56 32.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 72.349999999999994 110.883 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -83.39 104.32 13.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 75.349999999999994 110.847 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 84.4 t -101.77 110.93 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 72.030000000000001 111.125 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.1 p -177.43 162.84 1.92 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 65.519999999999996 110.884 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -134.89 129.23 34.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 53.200000000000003 111.102 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -145.54 147.39 32.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 74.230000000000004 110.899 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -95.32 65.29 2.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 74.430000000000007 110.874 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.19 -139.13 2.56 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.741 -0.742 . . . . 42.039999999999999 112.508 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -63.23 -75.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.856 0.36 . . . . 64.25 110.895 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -165.43 126.37 1.92 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 75.209999999999994 110.863 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.8 p -77.07 173.47 11.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 61.32 110.849 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -144.46 116.05 8.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 72.430000000000007 110.919 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -162.75 87.68 1.36 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.64 0.733 . . . . 72.340000000000003 110.86 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 119.37 6.33 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.692 2.261 . . . . 73.510000000000005 112.334 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -138.88 133.77 32.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 74.450000000000003 110.87 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.4 tpp180 -75.19 133.33 41.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 74.409999999999997 110.908 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.462 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 3.4 m -76.76 157.92 81.32 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.647 0.736 . . . . 74.129999999999995 110.904 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.462 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.0 Cg_endo -69.77 -170.5 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 2.263 . . . . 71.140000000000001 112.317 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.48 36.92 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 61.140000000000001 111.107 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.2 ptp -140.79 -28.46 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 72.25 110.88 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.432 HG11 ' HB3' ' A' ' 45' ' ' CYS . 15.6 t -94.42 141.88 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 74.530000000000001 111.135 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.16 28.79 1.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 71.030000000000001 111.075 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -155.9 147.47 22.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 74.540000000000006 110.931 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.3 m -104.3 124.44 49.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 74.120000000000005 110.867 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.3 ttt -104.08 138.34 40.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 71.439999999999998 110.893 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 65.9 m -143.2 114.93 8.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 75.120000000000005 111.139 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.2 m -111.77 102.37 10.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 74.109999999999999 111.117 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -98.19 104.41 16.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 74.019999999999996 110.892 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.8 m -96.52 161.8 13.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 73.439999999999998 111.137 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -133.8 106.82 7.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 73.040000000000006 110.906 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -84.5 -70.38 0.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 72.209999999999994 110.926 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.509 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -111.97 161.05 27.56 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.632 0.73 . . . . 73.450000000000003 111.123 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.509 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.9 Cg_endo -69.76 -4.87 14.9 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.695 2.263 . . . . 73.230000000000004 112.325 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.9 p -123.58 -4.24 8.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 72.120000000000005 111.126 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.6 mtp-105 -145.03 132.85 21.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 74.230000000000004 110.902 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -134.2 170.08 16.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 74.420000000000002 110.88 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -137.55 147.72 45.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 63.340000000000003 110.873 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.5 p -136.99 150.47 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 65.120000000000005 111.158 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.5 p -143.69 129.67 19.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 71.209999999999994 110.88 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.4 mttm -135.61 145.85 47.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 74.439999999999998 110.884 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.3 p -166.5 175.68 7.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 71.230000000000004 110.835 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.432 ' HB3' HG11 ' A' ' 24' ' ' VAL . 1.6 m -100.21 120.9 40.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.493 . . . . 75.400000000000006 110.897 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.4 m -131.87 152.01 79.54 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.619 0.723 . . . . 73.319999999999993 111.124 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -43.36 2.67 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.678 2.252 . . . . 72.439999999999998 112.347 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.2 mmt85 -133.9 125.05 27.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 75.409999999999997 110.875 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 41.1 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 44.100000000000001 110.842 -179.926 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.7 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.901 0.381 . . . . 74.099999999999994 110.877 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.6 t -144.76 145.71 31.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 74.540000000000006 111.173 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.8 m -122.77 134.98 54.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 73.099999999999994 111.153 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.9 m -116.1 146.26 42.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 75.329999999999998 110.862 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 5.2 m -133.84 140.61 46.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 73.209999999999994 110.874 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.1 p -152.72 178.39 9.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 64.239999999999995 110.899 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -134.2 11.59 3.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 70.109999999999999 110.934 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.414 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 18.0 t80 -95.36 146.38 24.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 72.120000000000005 110.931 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -54.28 130.42 38.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 74.299999999999997 110.836 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.8 mt 46.6 36.05 3.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 70.040000000000006 110.877 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.414 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 27.2 p -65.8 -33.49 75.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 62.140000000000001 110.9 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 45.0 p-10 -83.66 -21.26 32.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 71.519999999999996 110.929 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.737 -0.744 . . . . 64.230000000000004 112.534 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 27.1 tp . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.81 0.338 . . . . 74.109999999999999 110.92 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.0 140.11 51.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 73.120000000000005 110.82 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m -155.9 174.32 15.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 51.340000000000003 110.923 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -83.6 118.62 23.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 74.430000000000007 110.906 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.3 t -117.59 105.86 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 74.510000000000005 111.137 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.7 p -178.4 176.51 1.04 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 72.140000000000001 110.892 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -144.07 130.12 19.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 70.150000000000006 111.124 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -144.63 152.93 41.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 74.129999999999995 110.946 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 54.2 m-20 -95.16 64.54 2.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 65.319999999999993 110.921 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.19 -136.53 2.01 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 72.200000000000003 112.497 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -67.13 -76.43 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.789 0.328 . . . . 74.340000000000003 110.899 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -166.51 121.8 1.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 72.049999999999997 110.905 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.2 p -76.22 141.98 41.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 70.209999999999994 110.882 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -106.55 117.1 33.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 72.530000000000001 110.824 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -160.79 81.64 2.13 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.631 0.729 . . . . 65.519999999999996 110.902 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 122.3 8.97 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.657 2.238 . . . . 54.229999999999997 112.308 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 33.7 mmm -139.93 141.33 36.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 73.209999999999994 110.91 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -75.99 129.57 37.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 73.450000000000003 110.908 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.468 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 8.3 m -74.02 157.32 87.14 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.627 0.727 . . . . 70.019999999999996 110.914 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.468 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.6 Cg_endo -69.83 174.2 9.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.704 2.269 . . . . 71.109999999999999 112.316 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.13 53.84 0.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 74.430000000000007 111.074 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.1 ptm -156.32 -39.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 72.349999999999994 110.882 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.463 HG12 ' HB3' ' A' ' 45' ' ' CYS . 41.2 t -78.08 146.25 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 72.310000000000002 111.158 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.29 22.81 1.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 62.0 111.089 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -157.58 149.19 21.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 73.129999999999995 110.91 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.8 m -104.79 127.28 52.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 70.109999999999999 110.846 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.8 ttt -107.22 141.15 38.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 74.420000000000002 110.84 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 36.0 m -145.87 115.57 7.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 72.239999999999995 111.163 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 36.6 m -108.97 106.21 16.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 73.340000000000003 111.101 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.08 106.42 18.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 75.239999999999995 110.887 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.5 m -95.18 156.68 16.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 75.439999999999998 111.122 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -133.85 100.95 4.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 71.450000000000003 110.919 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -85.02 -69.5 0.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 73.540000000000006 110.942 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.516 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -114.67 160.58 32.74 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.597 0.713 . . . . 74.099999999999994 111.107 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.516 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.5 Cg_endo -69.78 -5.0 15.18 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.692 2.261 . . . . 72.329999999999998 112.335 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.4 p -123.14 -4.28 8.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 74.299999999999997 111.137 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.9 mmt85 -145.52 132.11 19.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 73.340000000000003 110.863 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.84 177.28 7.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 74.5 110.862 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -141.61 144.64 34.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 74.120000000000005 110.878 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.8 p -135.66 142.99 37.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 73.209999999999994 111.128 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.54 132.14 34.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 72.340000000000003 110.855 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -135.01 139.01 44.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 64.5 110.879 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.8 p -162.25 168.32 22.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 74.219999999999999 110.839 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.463 ' HB3' HG12 ' A' ' 24' ' ' VAL . 1.7 m -99.24 123.07 43.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 74.420000000000002 110.817 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.2 m -135.26 151.55 75.22 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.639 0.733 . . . . 74.209999999999994 111.122 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -41.48 4.28 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.67 2.247 . . . . 72.430000000000007 112.366 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.7 mtp85 -134.04 119.36 18.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 73.140000000000001 110.862 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.7 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 75.120000000000005 110.903 -179.964 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.9 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.954 0.406 . . . . 64.400000000000006 110.88 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.5 t -145.45 167.93 21.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 74.129999999999995 111.129 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.3 m -129.96 145.33 51.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 74.5 111.137 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.5 t -126.62 139.61 53.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 64.5 110.888 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.9 m -126.25 137.64 53.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 75.409999999999997 110.884 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.7 p -152.92 174.37 14.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 73.420000000000002 110.878 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.6 tm0? -134.27 13.87 3.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 72.129999999999995 110.934 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.429 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 17.4 t80 -96.36 145.93 25.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 73.299999999999997 110.91 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -54.61 129.18 35.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 74.129999999999995 110.889 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.5 mt 48.3 35.53 5.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 75.049999999999997 110.898 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 27.8 p -65.86 -26.44 67.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 70.439999999999998 110.876 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 -94.54 25.79 3.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 55.130000000000003 110.844 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.79 -0.719 . . . . 50.229999999999997 112.514 179.942 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 17.4 tp . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.779 0.323 . . . . 73.400000000000006 110.88 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.67 133.23 56.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 64.430000000000007 110.888 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 21.8 m -139.98 168.48 19.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 74.510000000000005 110.83 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -84.33 112.81 20.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 74.430000000000007 110.836 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 80.1 t -109.5 100.19 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 74.129999999999995 111.151 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.9 p -176.11 170.64 2.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 65.25 110.882 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -142.02 134.53 28.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 71.510000000000005 111.084 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -145.27 151.75 38.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 72.329999999999998 110.943 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -93.42 63.7 3.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 64.129999999999995 110.927 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.21 -138.02 2.32 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.749 -0.739 . . . . 55.299999999999997 112.488 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -65.98 -75.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 73.519999999999996 110.862 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -165.88 127.05 1.86 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 64.420000000000002 110.849 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.6 p -79.94 162.42 24.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 64.140000000000001 110.855 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -125.64 115.01 19.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 75.540000000000006 110.886 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 37.7 t-20 -158.11 82.63 2.82 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.587 0.708 . . . . 72.310000000000002 110.875 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 122.25 8.92 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.699 2.266 . . . . 73.510000000000005 112.34 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -142.21 133.29 26.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 75.230000000000004 110.9 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -69.56 132.98 47.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 75.530000000000001 110.836 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.471 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 3.9 m -76.32 157.71 82.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.647 0.737 . . . . 73.099999999999994 110.865 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.471 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.1 Cg_endo -69.77 -179.68 3.08 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.733 2.289 . . . . 65.430000000000007 112.378 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.42 54.52 1.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 71.420000000000002 111.113 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.9 ptp -158.28 -39.45 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 71.5 110.882 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.457 HG11 ' HB3' ' A' ' 45' ' ' CYS . 37.4 t -84.14 144.58 9.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 53.450000000000003 111.123 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.79 27.34 1.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 74.319999999999993 111.075 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -156.4 152.63 27.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 72.420000000000002 110.873 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.1 m -104.7 141.61 36.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 75.230000000000004 110.89 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.3 ttm -120.2 143.37 48.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 74.209999999999994 110.878 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 88.0 m -145.17 111.38 5.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 75.329999999999998 111.129 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.0 m -111.64 101.77 10.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 72.030000000000001 111.14 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -97.32 103.6 15.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 75.340000000000003 110.863 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 98.5 m -87.39 136.3 32.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 74.150000000000006 111.15 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -106.25 111.99 24.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 75.420000000000002 110.92 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -98.13 -80.53 0.45 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 75.340000000000003 110.944 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.463 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.3 p -113.05 161.91 24.45 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.621 0.724 . . . . 75.530000000000001 111.132 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.463 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.7 Cg_endo -69.76 -3.54 12.21 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.713 2.276 . . . . 74.109999999999999 112.352 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.7 p -122.76 -7.42 8.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 70.310000000000002 111.153 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.3 mmm-85 -146.61 140.26 25.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 72.310000000000002 110.897 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.5 ptp -143.53 171.74 13.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 75.420000000000002 110.868 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.0 mtpp -134.92 140.43 45.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 74.109999999999999 110.871 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.3 p -132.98 147.08 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 65.310000000000002 111.163 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 p -143.0 129.31 19.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 75.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt -135.88 140.75 44.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 74.420000000000002 110.912 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.8 p -163.95 175.03 10.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 71.219999999999999 110.803 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.457 ' HB3' HG11 ' A' ' 24' ' ' VAL . 1.7 m -95.71 125.54 40.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.058 -0.519 . . . . 73.030000000000001 110.86 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 32.6 m -135.4 152.22 76.19 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.623 0.725 . . . . 70.230000000000004 111.077 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -46.4 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.697 2.265 . . . . 73.010000000000005 112.348 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -134.77 120.61 19.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 73.019999999999996 110.845 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 23.0 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 72.099999999999994 110.888 -179.951 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 61.5 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.956 0.408 . . . . 61.210000000000001 110.869 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 29.9 m -112.15 117.49 32.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 63.240000000000002 111.164 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.2 m -94.83 107.12 19.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 74.219999999999999 111.169 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 60.3 m -97.39 135.33 39.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 73.230000000000004 110.856 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.3 m -127.76 137.07 52.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 61.509999999999998 110.91 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.1 p -150.62 177.25 10.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 75.109999999999999 110.886 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -132.65 12.25 4.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 65.030000000000001 110.898 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.445 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 19.1 t80 -96.51 146.4 24.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 75.310000000000002 110.904 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -58.02 131.28 49.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 74.319999999999993 110.896 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.9 mt 49.74 32.23 5.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 70.129999999999995 110.947 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.445 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 30.5 p -66.34 -26.03 67.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 71.439999999999998 110.863 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 46.2 p-10 -94.5 26.32 3.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 75.519999999999996 110.889 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.75 . . . . 61.439999999999998 112.478 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 54.3 tp . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.797 0.332 . . . . 74.25 110.926 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -110.07 130.73 55.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 62.539999999999999 110.884 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 14.3 m -140.12 163.0 33.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 74.310000000000002 110.895 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -83.23 113.91 21.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 72.349999999999994 110.833 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.2 t -109.49 104.03 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 74.409999999999997 111.167 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.1 p -176.68 169.96 2.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 74.030000000000001 110.855 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -143.65 132.29 22.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 52.119999999999997 111.087 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -144.11 152.87 41.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 74.049999999999997 110.905 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -95.62 64.69 2.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.074 -0.512 . . . . 73.430000000000007 110.912 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.81 -130.35 1.11 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 74.030000000000001 112.52 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -74.89 -76.71 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.342 . . . . 74.409999999999997 110.864 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -162.83 122.77 2.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 75.200000000000003 110.884 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.6 p -77.05 164.03 26.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 65.129999999999995 110.896 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -127.49 118.4 23.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 74.209999999999994 110.874 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 -162.61 88.25 1.37 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.577 0.703 . . . . 74.340000000000003 110.913 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 118.1 5.48 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.661 2.241 . . . . 74.319999999999993 112.364 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -131.58 126.97 36.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 65.519999999999996 110.922 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -72.61 123.84 24.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 75.329999999999998 110.846 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.454 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 5.4 m -71.56 157.24 90.26 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.632 0.73 . . . . 75.109999999999999 110.906 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.454 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.3 Cg_endo -69.81 -171.82 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.706 2.271 . . . . 74.519999999999996 112.336 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.57 35.38 0.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 71.099999999999994 111.088 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.5 ptp -136.05 -29.36 1.01 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 73.349999999999994 110.871 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.401 HG11 ' HB3' ' A' ' 45' ' ' CYS . 72.5 t -92.94 146.0 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 63.420000000000002 111.162 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -147.36 42.49 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 65.140000000000001 111.107 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -170.84 154.41 4.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 74.409999999999997 110.916 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.1 m -111.73 137.26 49.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 64.340000000000003 110.878 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.7 ttt -120.87 137.54 54.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 63.109999999999999 110.899 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 47.3 m -141.81 113.26 7.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.27 -0.423 . . . . 74.340000000000003 111.149 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.3 m -102.57 97.55 7.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 72.129999999999995 111.116 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -95.73 96.14 8.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 73.209999999999994 110.879 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 87.0 m -96.02 131.21 42.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 73.129999999999995 111.168 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -135.04 109.87 8.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 73.299999999999997 110.951 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -89.12 -51.33 5.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 74.450000000000003 110.94 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.545 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -135.32 162.98 54.15 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.557 0.694 . . . . 74.510000000000005 111.124 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.545 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.9 Cg_endo -69.74 -1.92 9.27 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.69 2.26 . . . . 74.099999999999994 112.351 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.5 p -122.23 -3.76 8.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.444 . . . . 73.140000000000001 111.149 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.8 mmt-85 -146.97 114.77 6.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 75.319999999999993 110.86 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.67 168.75 19.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 61.520000000000003 110.898 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.51 144.64 21.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.423 . . . . 75.209999999999994 110.9 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.9 p -134.61 151.33 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 73.319999999999993 111.127 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 p -145.8 133.6 21.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 65.319999999999993 110.85 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.2 mttm -135.77 141.61 44.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.129 -0.487 . . . . 74.409999999999997 110.902 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 p -166.43 174.57 8.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 71.209999999999994 110.86 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.401 ' HB3' HG11 ' A' ' 24' ' ' VAL . 17.6 m -93.6 132.7 37.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 54.340000000000003 110.897 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.1 m -146.3 153.49 48.38 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.645 0.736 . . . . 74.319999999999993 111.119 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -45.29 1.63 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.708 2.272 . . . . 65.549999999999997 112.344 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.5 mtp85 -135.04 109.28 8.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 72.109999999999999 110.829 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.3 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 71.230000000000004 110.879 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.978 0.418 . . . . 75.430000000000007 110.875 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -127.4 137.44 52.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 73.209999999999994 111.144 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.0 m -114.78 123.58 49.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 73.200000000000003 111.123 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.0 m -105.46 124.38 49.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 65.109999999999999 110.867 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 2.1 m -122.37 149.22 44.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 71.030000000000001 110.89 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -165.5 173.26 11.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 73.349999999999994 110.918 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -126.82 13.84 7.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 73.439999999999998 110.918 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.463 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 16.6 t80 -95.9 145.94 24.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 71.319999999999993 110.918 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -55.77 130.52 43.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 54.43 110.879 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.5 mt 48.16 32.91 3.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 71.209999999999994 110.963 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.463 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 31.6 p -66.23 -29.27 69.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 74.150000000000006 110.896 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 47.3 p-10 -92.46 27.47 2.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 75.420000000000002 110.835 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.775 -0.726 . . . . 72.150000000000006 112.486 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 27.9 tp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.778 0.323 . . . . 74.409999999999997 110.91 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.02 130.39 55.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 72.510000000000005 110.865 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.7 m -141.66 164.62 29.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 73.549999999999997 110.83 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -84.4 109.49 17.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 75.439999999999998 110.887 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.8 t -106.78 107.59 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 75.0 111.085 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 24.6 p -176.49 173.93 1.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 71.049999999999997 110.894 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.12 128.29 13.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 75.540000000000006 111.102 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -144.33 147.72 33.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 75.409999999999997 110.898 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.404 ' HA ' ' HA ' ' A' ' 40' ' ' LYS . 1.5 m-80 -94.04 66.09 3.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.519 . . . . 73.439999999999998 110.906 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.61 -136.91 2.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.747 . . . . 64.109999999999999 112.492 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -64.73 -77.23 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.84 0.352 . . . . 74.239999999999995 110.84 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -162.34 124.19 2.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 74.340000000000003 110.929 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.1 p -76.49 157.69 31.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 75.230000000000004 110.915 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -130.34 118.56 21.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 75.140000000000001 110.874 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -162.64 83.89 1.54 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.631 0.729 . . . . 73.519999999999996 110.896 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 113.28 3.33 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.62 2.214 . . . . 73.040000000000006 112.333 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.5 tpt -133.1 139.01 46.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 73.209999999999994 110.908 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.0 tpp180 -73.91 135.18 43.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 74.319999999999993 110.895 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.485 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 4.4 m -77.02 158.03 80.64 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.626 0.727 . . . . 74.219999999999999 110.907 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.485 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.0 Cg_endo -69.75 177.51 5.5 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.634 2.223 . . . . 74.219999999999999 112.38 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.0 51.72 1.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 73.340000000000003 111.084 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 17.0 ptm -157.3 -39.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 74.25 110.889 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.434 HG13 ' HB3' ' A' ' 45' ' ' CYS . 24.4 t -79.62 143.23 12.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 71.439999999999998 111.149 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.23 32.07 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 61.43 111.136 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -160.71 149.07 16.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 75.219999999999999 110.956 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.0 m -104.7 129.68 52.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 65.239999999999995 110.873 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.4 ttp -108.86 136.72 47.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 63.409999999999997 110.884 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 92.2 m -139.04 123.07 17.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 75.400000000000006 111.146 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.2 m -120.98 100.92 7.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 63.210000000000001 111.183 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 -98.51 99.73 10.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 71.409999999999997 110.897 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -92.03 152.83 19.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 71.209999999999994 111.129 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -133.81 107.64 8.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 64.219999999999999 110.918 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -84.98 -65.4 1.01 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 74.510000000000005 110.96 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.545 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -122.52 161.83 41.48 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.593 0.711 . . . . 73.430000000000007 111.153 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.545 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.7 Cg_endo -69.8 -3.24 11.65 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.666 2.244 . . . . 71.120000000000005 112.342 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.05 -7.13 9.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 65.200000000000003 111.155 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.7 mtt180 -146.79 135.21 21.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 74.239999999999995 110.893 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.7 172.74 12.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 73.409999999999997 110.882 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 10' ' ' ASN . 7.8 ttpp -144.6 153.05 41.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 73.420000000000002 110.906 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.0 p -143.05 152.11 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 75.420000000000002 111.098 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.3 p -147.99 127.82 13.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 64.519999999999996 110.882 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -134.19 146.0 49.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.478 . . . . 73.010000000000005 110.894 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.3 p -165.76 169.75 14.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 72.099999999999994 110.8 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.434 ' HB3' HG13 ' A' ' 24' ' ' VAL . 2.1 m -93.3 122.33 35.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 73.209999999999994 110.909 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.2 m -131.94 152.3 80.01 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.604 0.716 . . . . 73.219999999999999 111.178 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -41.63 4.15 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.673 2.248 . . . . 64.230000000000004 112.319 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.1 mtp-105 -134.24 124.66 26.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 75.349999999999994 110.899 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 53.3 t . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 71.140000000000001 110.92 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 89.9 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.954 0.407 . . . . 71.230000000000004 110.845 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.63 118.18 15.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.498 . . . . 71.329999999999998 111.133 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.3 m -103.89 137.84 41.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 75.310000000000002 111.141 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.1 t -124.64 154.73 40.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 64.450000000000003 110.839 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 6.1 m -137.17 147.15 45.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 74.209999999999994 110.883 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.4 p -156.06 171.8 19.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 74.109999999999999 110.904 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -128.75 13.44 6.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 64.439999999999998 110.928 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.417 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 19.7 t80 -96.25 146.37 24.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 73.140000000000001 110.92 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -56.2 130.85 46.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 75.430000000000007 110.912 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 30.8 mt 48.35 34.11 4.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 75.299999999999997 110.912 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.417 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 28.7 p -65.51 -29.76 70.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 52.509999999999998 110.887 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 51.1 p-10 -93.48 25.46 3.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 65.129999999999995 110.911 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 72.340000000000003 112.48 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 30.6 tp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.821 0.343 . . . . 74.25 110.909 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -107.69 131.2 54.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 62.130000000000003 110.901 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.6 m -145.71 157.92 43.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 72.349999999999994 110.925 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -82.98 104.33 13.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 72.420000000000002 110.845 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 51.1 t -99.49 106.67 19.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 75.230000000000004 111.128 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.9 p -174.9 164.88 3.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 73.230000000000004 110.91 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -141.62 128.01 19.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 62.509999999999998 111.093 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -144.79 146.97 32.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 75.0 110.922 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -87.63 65.3 8.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 74.030000000000001 110.896 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.39 -143.91 3.85 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 75.409999999999997 112.479 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -60.96 -76.4 0.05 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.817 0.341 . . . . 72.019999999999996 110.848 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -167.69 118.6 0.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 74.230000000000004 110.848 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.7 p -76.68 150.68 36.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 74.420000000000002 110.9 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -114.36 120.72 41.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 73.430000000000007 110.87 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -163.03 86.01 1.37 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.59 0.71 . . . . 74.310000000000002 110.896 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 115.2 3.98 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.739 2.293 . . . . 73.510000000000005 112.358 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.2 ttm -126.43 141.17 51.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 75.219999999999999 110.903 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -75.89 127.94 34.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 74.319999999999993 110.881 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.446 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 20.2 m -78.16 155.92 79.44 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.616 0.722 . . . . 73.420000000000002 110.854 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.446 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.6 Cg_endo -69.81 -169.43 0.33 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.693 2.262 . . . . 71.420000000000002 112.312 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.68 27.41 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 62.399999999999999 111.104 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -130.13 -21.6 2.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 75.239999999999995 110.93 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.477 HG11 ' HB3' ' A' ' 45' ' ' CYS . 14.8 t -95.32 140.9 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 74.420000000000002 111.139 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -138.9 9.4 2.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 74.239999999999995 111.1 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -147.04 155.07 41.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.262 -0.426 . . . . 73.340000000000003 110.93 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.8 m -104.91 142.29 35.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 60.030000000000001 110.906 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 21.8 ttm -117.09 142.38 47.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 74.319999999999993 110.859 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 87.8 m -145.6 104.34 3.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 74.530000000000001 111.132 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.0 m -101.9 99.43 9.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 72.019999999999996 111.129 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -97.94 101.16 12.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 74.109999999999999 110.9 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.7 m -88.71 156.32 19.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 74.329999999999998 111.14 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -133.86 102.62 5.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 74.450000000000003 110.923 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -84.83 -66.4 0.9 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 71.420000000000002 110.93 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.511 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -117.9 161.05 36.29 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.579 0.704 . . . . 75.230000000000004 111.104 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.511 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.5 Cg_endo -69.74 -4.98 15.1 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.716 2.277 . . . . 73.019999999999996 112.342 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.4 p -122.94 -4.1 8.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 73.519999999999996 111.135 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -145.11 133.44 21.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 75.319999999999993 110.887 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 8.8 ptm -138.85 176.09 9.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 72.239999999999995 110.863 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -145.32 151.24 38.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 74.329999999999998 110.874 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.8 p -136.83 153.05 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 75.200000000000003 111.136 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.39 112.86 4.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 75.540000000000006 110.876 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.0 mttm -121.54 147.52 45.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 75.340000000000003 110.879 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 62.1 p -164.95 178.88 6.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 73.540000000000006 110.862 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.477 ' HB3' HG11 ' A' ' 24' ' ' VAL . 21.4 m -99.28 133.07 44.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 74.310000000000002 110.9 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.9 m -148.49 152.14 37.78 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.64 0.733 . . . . 75.030000000000001 111.149 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -47.29 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.645 2.23 . . . . 75.239999999999995 112.373 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 31.8 mtm180 -134.44 119.49 18.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 74.120000000000005 110.881 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 15.8 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 75.430000000000007 110.877 -179.953 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.5 p . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.941 0.401 . . . . 72.319999999999993 110.866 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.2 m -131.39 104.48 7.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 75.510000000000005 111.136 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 80.6 m -94.15 109.75 21.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 71.409999999999997 111.163 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.9 t -95.96 146.07 24.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 63.439999999999998 110.84 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.2 m -135.37 141.29 45.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.509 . . . . 72.409999999999997 110.875 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -149.0 179.68 7.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 71.510000000000005 110.902 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -134.37 8.81 3.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 72.310000000000002 110.923 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -96.09 147.24 23.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 74.219999999999999 110.891 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -59.3 133.52 56.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 74.530000000000001 110.844 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 29.0 mt 49.14 32.58 4.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 75.129999999999995 110.868 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.7 p -65.59 -29.78 70.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 73.109999999999999 110.912 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.5 p-10 -93.96 25.56 3.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 74.010000000000005 110.866 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.725 -0.75 . . . . 51.049999999999997 112.467 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.2 ptt? . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.828 0.347 . . . . 74.319999999999993 110.902 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.4 tp -151.23 148.77 28.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 72.030000000000001 110.929 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.12 129.81 56.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 71.200000000000003 110.901 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 15.8 m -138.15 165.49 26.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 71.409999999999997 110.909 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -84.02 111.71 19.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 74.049999999999997 110.843 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 69.8 t -108.61 105.57 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 72.310000000000002 111.119 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.6 p -175.29 178.51 1.67 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 63.43 110.898 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -151.95 133.88 14.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 63.109999999999999 111.087 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -146.95 153.29 39.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 73.340000000000003 110.938 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -95.06 63.38 2.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 73.230000000000004 110.864 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.95 -136.15 1.94 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 71.439999999999998 112.467 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -65.88 -76.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 75.310000000000002 110.866 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -166.78 124.3 1.31 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 74.239999999999995 110.937 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.0 p -75.83 167.67 21.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 74.319999999999993 110.87 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -132.26 118.36 19.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 65.140000000000001 110.907 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -160.85 83.14 2.0 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.605 0.717 . . . . 74.239999999999995 110.876 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 117.72 5.26 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.685 2.257 . . . . 74.299999999999997 112.345 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.9 tpp -139.04 134.35 32.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 73.349999999999994 110.917 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 -70.59 134.08 47.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 73.219999999999999 110.845 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.465 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 4.6 m -76.05 157.27 83.54 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.65 0.738 . . . . 72.319999999999993 110.85 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.465 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.0 Cg_endo -69.75 177.46 5.55 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.674 2.249 . . . . 70.540000000000006 112.336 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.47 54.37 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 74.340000000000003 111.138 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.5 ptm -157.88 -38.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 75.230000000000004 110.93 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.426 HG12 ' HB3' ' A' ' 45' ' ' CYS . 37.8 t -84.29 147.24 5.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 75.540000000000006 111.155 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -147.8 30.18 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 44.130000000000003 111.113 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -158.71 150.2 20.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 74.019999999999996 110.896 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.5 m -104.64 136.52 44.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.509 . . . . 71.019999999999996 110.878 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 12.0 ttt -117.25 142.05 47.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 62.030000000000001 110.904 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 94.8 m -145.7 110.99 5.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 62.130000000000003 111.133 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.3 m -106.26 102.66 12.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 74.530000000000001 111.181 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -97.3 103.79 15.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 71.230000000000004 110.891 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -92.39 160.8 14.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 73.530000000000001 111.188 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -138.78 105.27 5.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 72.329999999999998 110.956 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -86.55 -65.14 1.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 74.439999999999998 110.961 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.544 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -124.19 161.98 44.35 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.58 0.705 . . . . 64.230000000000004 111.119 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.544 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.1 Cg_endo -69.8 -3.34 11.83 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.672 2.248 . . . . 62.32 112.319 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 66.5 p -119.61 -7.46 10.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 75.420000000000002 111.157 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 50.5 mtm180 -146.89 134.1 20.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 73.510000000000005 110.846 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -134.26 170.43 15.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 74.129999999999995 110.869 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -137.84 144.3 41.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 75.439999999999998 110.896 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.9 p -139.06 150.48 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 62.219999999999999 111.144 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.44 130.68 16.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 75.129999999999995 110.896 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.3 mttm -135.14 144.4 47.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 74.25 110.874 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.1 p -165.39 178.55 6.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 64.519999999999996 110.877 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.426 ' HB3' HG12 ' A' ' 24' ' ' VAL . 3.8 m -100.64 122.67 43.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 55.420000000000002 110.872 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.3 m -136.12 152.91 76.27 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.616 0.722 . . . . 74.310000000000002 111.13 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -44.66 1.95 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.727 2.285 . . . . 74.310000000000002 112.305 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -133.96 126.21 29.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 75.209999999999994 110.838 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.9 t -125.48 128.54 48.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 73.310000000000002 110.859 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -104.93 152.96 22.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 74.420000000000002 110.919 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -85.35 124.13 31.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 75.219999999999999 110.857 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.3 p -87.97 105.43 17.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 71.400000000000006 111.143 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.2 m -105.86 136.42 40.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 74.519999999999996 111.117 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -145.95 118.61 8.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 74.230000000000004 110.861 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -165.41 76.28 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 75.209999999999994 110.836 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -175.39 -69.33 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.784 -0.722 . . . . 71.329999999999998 112.536 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -134.2 -36.35 0.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.941 0.401 . . . . 75.010000000000005 110.93 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.81 169.09 15.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 73.329999999999998 110.838 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.61 125.73 29.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 71.430000000000007 110.949 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 56.2 p-80 -106.67 28.28 8.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 74.030000000000001 110.827 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.37 15.64 8.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 63.399999999999999 111.092 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.4 m -139.23 140.99 37.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.428 . . . . 72.439999999999998 110.909 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.1 p -143.97 114.27 7.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 62.240000000000002 111.116 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 28.7 m -94.73 126.31 39.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 72.150000000000006 111.13 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.1 m -109.21 149.11 29.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.452 . . . . 71.010000000000005 110.846 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 2.8 m -136.07 144.25 45.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 70.400000000000006 110.873 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.3 p -156.61 170.39 22.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 74.450000000000003 110.864 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.1 tm0? -127.35 12.83 7.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 74.450000000000003 110.888 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.405 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 16.6 t80 -96.08 145.01 25.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 75.109999999999999 110.914 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -56.19 130.35 43.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 73.340000000000003 110.861 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.8 mt 50.02 33.62 7.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 74.109999999999999 110.936 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.405 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 28.0 p -65.61 -29.63 70.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 72.299999999999997 110.861 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 50.5 p-10 -93.58 25.8 3.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 74.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 74.349999999999994 112.493 180.0 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 mtm . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.814 0.34 . . . . 75.540000000000006 110.877 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 25.5 tp -154.85 148.87 25.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 73.299999999999997 110.928 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.37 139.96 53.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 74.420000000000002 110.882 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m -155.19 172.46 18.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 72.310000000000002 110.819 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -84.01 112.12 19.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 75.340000000000003 110.846 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 97.4 t -109.86 105.84 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 63.329999999999998 111.126 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.6 p -176.32 -177.75 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 73.450000000000003 110.921 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -153.95 132.14 11.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 75.219999999999999 111.075 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -145.13 150.89 37.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 71.400000000000006 110.937 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -91.19 64.21 5.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 73.019999999999996 110.884 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.74 -134.74 1.69 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.733 -0.746 . . . . 75.25 112.5 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -70.07 -75.5 0.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.799 0.333 . . . . 72.530000000000001 110.901 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -165.23 122.51 1.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 73.120000000000005 110.861 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.6 p -76.6 153.61 35.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 73.319999999999993 110.936 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -119.29 117.51 28.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 72.420000000000002 110.883 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -161.33 85.64 1.72 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.671 0.748 . . . . 70.150000000000006 110.9 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 124.97 11.6 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.615 2.21 . . . . 75.340000000000003 112.362 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -145.42 137.41 25.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 71.25 110.815 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -75.37 132.22 40.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 73.510000000000005 110.884 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.449 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 6.6 m -75.01 156.45 86.09 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.736 . . . . 70.030000000000001 110.874 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.449 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.7 Cg_endo -69.75 -175.28 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.621 2.214 . . . . 74.329999999999998 112.349 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.52 50.22 1.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 53.439999999999998 111.134 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.0 ptt? -152.25 -36.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 74.439999999999998 110.882 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.447 HG11 ' HB3' ' A' ' 45' ' ' CYS . 41.3 t -80.87 148.21 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 73.349999999999994 111.102 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -146.36 20.46 1.37 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 71.549999999999997 111.106 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -157.67 147.26 20.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 74.109999999999999 110.926 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.4 m -104.29 125.62 50.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 74.109999999999999 110.884 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 13.5 ttm -101.47 139.67 36.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 73.150000000000006 110.871 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 97.7 m -140.23 113.01 8.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 74.340000000000003 111.114 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -112.63 99.58 8.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 73.349999999999994 111.134 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -96.08 96.93 9.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 74.349999999999994 110.855 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.1 m -92.16 142.58 27.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 64.329999999999998 111.169 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -145.69 127.84 15.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 73.239999999999995 110.936 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -106.45 -41.21 5.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 74.310000000000002 110.925 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.544 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -133.23 161.63 62.61 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.518 0.675 . . . . 71.219999999999999 111.189 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.544 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.6 Cg_endo -69.75 -4.53 14.21 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.704 2.27 . . . . 63.530000000000001 112.302 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.0 p -124.91 -2.81 7.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 64.310000000000002 111.137 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -140.77 114.31 8.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 74.140000000000001 110.874 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.99 172.67 12.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 75.010000000000005 110.929 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -150.64 148.13 28.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 74.329999999999998 110.922 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.7 p -131.9 154.27 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 74.140000000000001 111.178 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.2 p -147.88 127.34 13.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 73.200000000000003 110.882 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -134.73 138.93 44.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 73.319999999999993 110.885 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.2 p -158.39 173.33 16.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 73.129999999999995 110.858 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.447 ' HB3' HG11 ' A' ' 24' ' ' VAL . 1.7 m -103.37 121.48 42.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 74.209999999999994 110.881 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 32.8 m -140.6 151.8 64.46 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.666 0.746 . . . . 62.420000000000002 111.131 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -47.13 0.99 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.683 2.255 . . . . 74.439999999999998 112.319 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 -106.22 141.54 37.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.422 . . . . 71.400000000000006 110.867 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 18.6 t -84.27 142.03 30.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 70.430000000000007 110.857 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -130.28 84.97 2.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 74.109999999999999 110.853 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -67.0 178.38 1.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 62.43 110.913 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 13.4 t -74.26 145.71 43.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 74.099999999999994 111.158 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.7 p -150.03 148.66 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 73.349999999999994 111.165 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -145.97 171.83 14.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 73.439999999999998 110.927 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -154.48 75.41 0.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 73.349999999999994 110.845 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -166.56 -83.14 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.74 . . . . 74.549999999999997 112.475 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -135.26 -77.54 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.899 0.381 . . . . 74.019999999999996 110.93 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.4 p -158.08 129.1 6.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 70.120000000000005 110.851 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -150.32 93.52 2.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 72.310000000000002 110.894 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -104.7 33.07 3.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 74.0 110.862 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.14 13.66 9.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 71.310000000000002 111.108 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -155.29 123.86 6.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 74.400000000000006 110.855 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -116.23 99.39 7.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 74.319999999999993 111.156 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.1 m -98.21 121.47 40.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 74.140000000000001 111.152 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.6 m -135.78 143.98 45.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 52.109999999999999 110.892 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.0 m -120.89 172.51 7.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 74.409999999999997 110.858 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -164.11 179.48 6.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 71.299999999999997 110.897 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -133.32 10.86 4.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 52.409999999999997 110.891 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.403 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 24.3 t80 -96.53 147.18 24.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 74.329999999999998 110.931 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -57.98 132.42 53.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.12 -0.491 . . . . 63.219999999999999 110.863 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.0 mt 48.81 32.97 3.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 75.019999999999996 110.918 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.403 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 29.4 p -66.29 -28.22 68.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 70.340000000000003 110.863 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 51.9 p-10 -93.74 26.67 3.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 71.129999999999995 110.901 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.779 -0.724 . . . . 72.420000000000002 112.479 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.6 tpp . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.8 0.334 . . . . 73.519999999999996 110.897 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 21.0 tp -155.06 149.28 26.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 64.409999999999997 110.929 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -119.86 130.67 54.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 72.430000000000007 110.92 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.4 m -139.44 167.43 22.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 74.310000000000002 110.842 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -84.05 112.5 20.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 73.310000000000002 110.87 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.8 t -109.53 105.05 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 62.32 111.13 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.1 p -176.78 163.49 2.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 60.119999999999997 110.914 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -136.0 130.4 33.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 70.200000000000003 111.092 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -144.75 148.37 34.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 72.430000000000007 110.907 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -95.44 63.66 2.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 73.25 110.889 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.52 -139.53 2.66 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 44.509999999999998 112.481 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -61.57 -77.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 73.109999999999999 110.867 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -166.01 125.15 1.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 74.400000000000006 110.913 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.9 p -77.33 166.84 22.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 32.210000000000001 110.88 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -136.29 117.46 14.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 72.120000000000005 110.869 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -160.94 83.42 1.95 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.615 0.721 . . . . 75.030000000000001 110.886 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 113.47 3.38 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.682 2.254 . . . . 72.450000000000003 112.375 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 35.0 tpp -135.14 134.49 40.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 75.219999999999999 110.868 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 -71.46 134.86 46.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 75.450000000000003 110.886 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.51 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 4.6 m -76.86 158.45 80.46 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.639 0.733 . . . . 74.519999999999996 110.869 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.51 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.4 Cg_endo -69.74 177.46 5.54 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.684 2.256 . . . . 74.540000000000006 112.365 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.05 53.62 1.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 75.209999999999994 111.138 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.41 ' HG2' ' HG2' ' A' ' 21' ' ' PRO . 9.5 ptp -157.74 -35.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 74.030000000000001 110.938 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.411 HG13 ' HB3' ' A' ' 45' ' ' CYS . 39.3 t -87.92 142.52 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 74.010000000000005 111.091 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -144.23 33.61 1.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 75.239999999999995 111.12 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -160.28 147.33 15.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 73.230000000000004 110.883 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.5 m -104.09 136.1 44.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 71.549999999999997 110.869 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.7 ttt -114.8 143.74 44.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 72.239999999999995 110.836 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 99.3 m -145.34 108.44 4.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 71.209999999999994 111.101 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.6 m -105.09 99.06 8.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 75.299999999999997 111.136 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -98.14 104.43 16.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 72.329999999999998 110.921 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.4 m -92.75 153.48 18.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 74.310000000000002 111.143 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -133.15 101.37 5.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 74.129999999999995 110.919 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -84.25 -68.84 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 75.340000000000003 110.953 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.51 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -115.12 160.68 33.0 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.55 0.691 . . . . 64.329999999999998 111.153 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.51 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.7 Cg_endo -69.82 -4.56 14.32 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.666 2.244 . . . . 73.400000000000006 112.392 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 69.2 p -124.07 -3.67 8.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 74.239999999999995 111.162 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.4 mtp85 -145.18 128.12 16.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 74.409999999999997 110.901 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 6.4 ptp -139.54 170.08 16.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 72.430000000000007 110.872 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -140.18 155.97 46.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 75.129999999999995 110.896 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.6 p -144.98 149.39 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 55.409999999999997 111.099 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 p -144.22 127.58 16.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 72.439999999999998 110.864 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -130.32 145.82 51.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 75.329999999999998 110.874 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.9 p -166.13 174.21 9.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 74.209999999999994 110.865 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.411 ' HB3' HG13 ' A' ' 24' ' ' VAL . 7.4 m -96.99 122.0 39.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 73.140000000000001 110.865 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.8 m -131.89 152.85 81.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.654 0.74 . . . . 75.099999999999994 111.137 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -47.13 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.66 2.24 . . . . 72.030000000000001 112.349 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 46.7 mmt-85 -134.23 119.68 19.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 75.530000000000001 110.922 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 32.7 t -119.68 127.37 52.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 72.329999999999998 110.906 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -108.72 132.63 53.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 74.310000000000002 110.85 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -65.07 158.22 26.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 74.510000000000005 110.894 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 41.0 m -74.65 124.98 27.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 63.439999999999998 111.164 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 23.0 m -99.82 145.71 10.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 71.420000000000002 111.146 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -153.59 162.39 41.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 75.109999999999999 110.912 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -163.7 83.3 0.46 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.091 -0.504 . . . . 72.439999999999998 110.891 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -164.16 -80.87 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.788 -0.72 . . . . 73.209999999999994 112.55 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -138.52 -76.59 0.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.896 0.379 . . . . 63.450000000000003 110.881 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.7 m -157.65 109.84 2.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 72.349999999999994 110.812 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.44 91.17 7.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 75.040000000000006 110.919 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 44.3 p-80 -96.13 31.46 2.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 75.120000000000005 110.825 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.88 -75.57 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 75.519999999999996 111.136 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.0 m -136.16 142.04 44.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 71.019999999999996 110.822 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.4 118.94 21.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 64.019999999999996 111.13 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.3 m -94.89 111.21 23.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 75.120000000000005 111.148 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.7 m -96.91 137.39 36.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 75.310000000000002 110.813 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.6 m -128.16 139.83 52.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 75.099999999999994 110.878 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.4 p -154.98 169.83 23.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 63.43 110.89 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -127.18 13.14 7.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 72.409999999999997 110.951 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.42 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 17.2 t80 -95.92 145.7 25.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 74.450000000000003 110.924 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -56.57 130.92 47.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 74.219999999999999 110.902 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 31.5 mt 49.06 33.53 4.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 75.530000000000001 110.866 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 28.8 p -65.38 -28.73 69.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 63.350000000000001 110.906 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 51.0 p-10 -93.79 25.66 3.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 73.140000000000001 110.857 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.692 -0.766 . . . . 72.310000000000002 112.495 179.975 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.9 mtt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.86 0.362 . . . . 64.099999999999994 110.896 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.6 tp -97.75 148.46 23.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 74.530000000000001 110.921 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.64 137.63 54.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 73.120000000000005 110.835 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 29.7 m -143.13 161.51 38.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 72.120000000000005 110.869 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -84.29 111.49 19.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 75.5 110.868 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.7 t -108.21 110.17 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 73.519999999999996 111.126 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.7 p -178.64 -176.92 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 54.149999999999999 110.894 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -153.61 132.47 12.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 63.420000000000002 111.126 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -144.41 153.9 42.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 74.329999999999998 110.88 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -95.5 75.73 3.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 72.409999999999997 110.908 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 178.43 -139.71 4.22 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 74.310000000000002 112.469 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -57.78 -76.67 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.851 0.358 . . . . 73.400000000000006 110.895 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -166.96 132.94 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 74.420000000000002 110.914 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.9 p -76.46 171.2 15.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 74.109999999999999 110.9 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -138.32 114.11 9.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 73.239999999999995 110.931 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -161.62 80.62 2.0 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.582 0.706 . . . . 71.329999999999998 110.872 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 115.6 4.16 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.69 2.26 . . . . 70.109999999999999 112.364 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 47.6 mmm -129.04 144.43 51.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 74.120000000000005 110.897 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -75.59 127.7 33.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 74.310000000000002 110.868 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.46 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 17.0 m -76.43 156.28 83.43 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.586 0.707 . . . . 72.310000000000002 110.902 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.46 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.6 Cg_endo -69.73 -173.42 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.649 2.232 . . . . 72.430000000000007 112.411 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.0 52.97 2.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 55.5 111.094 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.6 ptm -156.66 -36.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 73.230000000000004 110.881 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.479 HG12 ' HB3' ' A' ' 45' ' ' CYS . 9.4 t -79.91 139.32 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 72.219999999999999 111.136 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.31 7.81 2.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 73.420000000000002 111.097 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -145.31 154.3 42.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.231 -0.44 . . . . 73.099999999999994 110.934 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.7 m -103.95 141.44 36.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 62.530000000000001 110.879 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.2 ttt -116.26 138.34 51.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 64.010000000000005 110.834 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 67.8 m -142.71 110.34 5.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 51.020000000000003 111.134 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 54.2 m -106.94 99.95 9.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 74.530000000000001 111.129 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -98.1 99.44 10.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 73.239999999999995 110.891 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 48.0 m -94.35 150.86 19.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 75.340000000000003 111.143 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -134.81 106.2 6.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 75.530000000000001 110.919 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -84.66 -63.2 1.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 75.409999999999997 110.892 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.491 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -115.97 160.21 36.23 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.615 0.721 . . . . 72.239999999999995 111.137 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.491 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.5 Cg_endo -69.82 -3.49 12.15 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.622 2.215 . . . . 72.239999999999995 112.329 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.7 p -126.28 -1.82 6.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 72.099999999999994 111.133 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.9 mtp-105 -146.44 133.47 20.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 73.530000000000001 110.855 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 7.9 ptp -146.5 178.08 8.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 74.099999999999994 110.895 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -152.68 136.54 16.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 71.400000000000006 110.902 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.6 p -126.88 146.15 33.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 75.120000000000005 111.099 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 p -139.11 133.57 31.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 75.030000000000001 110.869 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -136.25 147.03 47.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 74.409999999999997 110.896 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.1 p -165.99 175.63 8.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 71.420000000000002 110.822 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.479 ' HB3' HG12 ' A' ' 24' ' ' VAL . 11.0 m -93.9 136.95 33.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.071 -0.513 . . . . 43.100000000000001 110.91 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.3 m -150.11 152.26 33.44 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.718 . . . . 73.510000000000005 111.153 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -48.07 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 75.310000000000002 112.338 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 27.9 mtp180 -134.75 121.92 21.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 73.239999999999995 110.933 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 29.7 t -125.21 134.78 52.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 75.420000000000002 110.885 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -119.61 153.19 35.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 75.439999999999998 110.887 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -65.05 159.96 22.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 62.539999999999999 110.909 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.25 143.97 44.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 74.430000000000007 111.141 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.7 p -135.46 160.77 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 75.319999999999993 111.138 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -143.93 176.49 9.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 75.129999999999995 110.91 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -161.55 80.68 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.505 . . . . 73.530000000000001 110.836 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -164.9 -84.91 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 74.439999999999998 112.476 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -140.98 -76.05 0.31 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.909 0.385 . . . . 75.340000000000003 110.909 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.8 m -156.05 110.53 2.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 75.349999999999994 110.875 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.7 mtmm -145.22 87.54 1.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 74.400000000000006 110.874 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 20.6 p80 -105.3 37.32 2.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 75.129999999999995 110.868 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.4 7.76 24.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 73.340000000000003 111.1 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.3 p -155.69 123.32 5.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 73.439999999999998 110.869 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.82 107.82 9.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 72.030000000000001 111.118 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 98.3 m -95.29 118.54 32.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 74.310000000000002 111.173 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.4 p -106.4 148.89 27.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 41.009999999999998 110.847 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.9 m -137.6 144.72 42.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 74.040000000000006 110.912 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -148.78 177.0 9.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 72.540000000000006 110.862 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -130.18 8.26 5.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 74.340000000000003 110.927 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -95.8 147.3 23.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 73.530000000000001 110.912 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -61.14 134.54 57.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 70.040000000000006 110.823 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.7 mt 49.99 31.09 4.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 63.229999999999997 110.9 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.3 p -65.33 -30.43 71.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 73.329999999999998 110.842 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 51.1 p-10 -94.69 25.6 3.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 54.420000000000002 110.902 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 71.409999999999997 112.491 179.97 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 tpt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.779 0.324 . . . . 71.409999999999997 110.897 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.5 tp -142.59 147.42 35.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 74.450000000000003 110.895 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -122.61 135.17 54.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 71.109999999999999 110.867 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.5 m -139.93 165.31 27.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 44.219999999999999 110.837 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -82.99 113.87 20.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 71.310000000000002 110.836 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 77.1 t -109.15 103.76 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 75.120000000000005 111.126 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.6 p -176.05 166.21 2.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 55.310000000000002 110.856 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -141.9 131.01 23.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 71.319999999999993 111.115 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -144.75 149.94 36.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 75.010000000000005 110.949 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -92.0 64.08 4.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 74.25 110.865 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.03 -135.29 1.79 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 63.020000000000003 112.46 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -67.22 -78.52 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.824 0.345 . . . . 72.439999999999998 110.87 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -168.08 120.74 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 73.340000000000003 110.892 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.1 p -77.23 160.18 29.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 74.430000000000007 110.847 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -122.26 121.5 36.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 73.129999999999995 110.879 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -162.77 87.82 1.35 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.564 0.697 . . . . 73.200000000000003 110.874 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 121.23 7.92 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.654 2.236 . . . . 60.210000000000001 112.309 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -132.8 132.64 42.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 75.120000000000005 110.863 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -74.59 122.24 22.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 73.209999999999994 110.886 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.419 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 4.7 m -72.64 156.28 90.23 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.66 0.743 . . . . 74.25 110.889 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.1 Cg_endo -69.71 -167.81 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.702 2.268 . . . . 75.329999999999998 112.343 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.16 39.91 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 75.200000000000003 111.096 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 17.3 ptm -141.28 -31.18 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 73.530000000000001 110.895 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.465 HG13 ' HB3' ' A' ' 45' ' ' CYS . 6.1 t -88.81 139.6 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 72.030000000000001 111.096 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -138.98 10.83 2.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 65.450000000000003 111.113 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -145.16 151.32 38.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 72.209999999999994 110.917 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.2 m -104.35 139.72 38.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 73.010000000000005 110.905 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.8 ttp -115.29 140.01 49.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 64.219999999999999 110.886 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 85.8 m -144.26 110.21 5.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 73.319999999999993 111.168 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.2 m -108.4 100.99 10.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 73.349999999999994 111.11 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -97.26 97.57 9.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 74.450000000000003 110.869 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.0 m -81.34 159.18 24.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 71.549999999999997 111.146 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -133.85 105.73 6.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 72.549999999999997 110.907 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -91.65 -75.1 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 74.540000000000006 110.96 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.506 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -111.09 160.63 28.29 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.633 0.73 . . . . 74.150000000000006 111.13 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.506 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.6 Cg_endo -69.78 -4.56 14.28 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.69 2.26 . . . . 54.329999999999998 112.345 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.1 p -123.52 -4.69 8.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 73.329999999999998 111.19 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.4 mmt-85 -145.84 123.58 11.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 75.239999999999995 110.85 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 4.3 ptp -126.73 174.06 9.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 75.420000000000002 110.916 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -137.66 147.96 45.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 63.439999999999998 110.906 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.3 p -140.57 147.43 23.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 65.430000000000007 111.17 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -145.33 130.05 18.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 73.140000000000001 110.88 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -135.07 145.32 47.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 72.430000000000007 110.862 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 p -165.24 177.6 7.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 65.439999999999998 110.83 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.465 ' HB3' HG13 ' A' ' 24' ' ' VAL . 4.0 m -99.94 135.62 41.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 74.219999999999999 110.902 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.2 m -150.05 152.0 33.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.604 0.716 . . . . 75.129999999999995 111.154 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.418 ' HB2' ' HD2' ' A' ' 48' ' ' ARG . 53.4 Cg_endo -69.84 -46.19 1.28 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.65 2.233 . . . . 75.230000000000004 112.34 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.418 ' HD2' ' HB2' ' A' ' 47' ' ' PRO . 0.3 OUTLIER -133.7 127.69 33.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 74.409999999999997 110.888 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.4 t -130.03 129.73 44.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 74.299999999999997 110.888 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -114.59 147.96 38.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 65.430000000000007 110.883 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -65.0 164.13 13.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 73.519999999999996 110.876 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.86 146.92 41.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 73.319999999999993 111.115 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.8 t -95.02 158.7 2.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 74.430000000000007 111.112 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -143.98 98.96 3.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 71.450000000000003 110.9 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -148.7 70.13 1.11 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 62.210000000000001 110.881 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -164.74 -93.63 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 61.229999999999997 112.475 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -136.78 -43.45 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.93 0.395 . . . . 74.319999999999993 110.943 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -165.96 83.63 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 75.420000000000002 110.855 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -95.76 27.3 3.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 74.420000000000002 110.909 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -95.64 29.44 2.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 74.329999999999998 110.825 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.16 -8.65 57.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 71.219999999999999 111.097 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t -156.44 125.32 5.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 74.239999999999995 110.897 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.2 m -107.63 109.8 21.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 73.329999999999998 111.141 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.4 m -94.76 106.53 18.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 61.100000000000001 111.158 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.95 140.75 31.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 75.140000000000001 110.834 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.0 m -130.61 139.77 50.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 71.340000000000003 110.866 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -147.24 178.1 8.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 72.540000000000006 110.887 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -131.58 7.82 4.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 72.420000000000002 110.905 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -96.1 147.79 23.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 73.530000000000001 110.943 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -61.45 134.9 57.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 74.120000000000005 110.899 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 37.2 mt 50.05 30.59 4.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 72.219999999999999 110.897 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.2 p -65.4 -27.7 68.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 64.129999999999995 110.881 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 49.7 p-10 -93.15 26.05 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 72.400000000000006 110.924 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 71.010000000000005 112.513 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.815 0.341 . . . . 74.400000000000006 110.903 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 15.1 tp -153.33 148.34 26.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 74.450000000000003 110.893 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -118.5 132.58 56.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.469 . . . . 64.329999999999998 110.892 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 15.0 m -138.44 164.55 29.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 65.400000000000006 110.892 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -83.89 112.42 20.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 75.519999999999996 110.876 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 73.6 t -110.46 106.97 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 74.329999999999998 111.142 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.0 p -175.92 -177.82 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 74.329999999999998 110.852 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -155.19 134.55 12.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 74.329999999999998 111.075 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -149.45 151.04 33.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 75.120000000000005 110.948 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -93.05 66.07 4.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 73.010000000000005 110.927 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.75 -138.89 2.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 74.209999999999994 112.537 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -64.03 -74.32 0.1 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.823 0.344 . . . . 72.239999999999995 110.89 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -166.61 125.69 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 74.420000000000002 110.85 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.0 p -75.94 165.84 24.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 75.040000000000006 110.919 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -133.31 117.78 17.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 65.519999999999996 110.902 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -160.85 83.93 1.94 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.597 0.713 . . . . 73.349999999999994 110.889 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 116.0 4.36 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.668 2.245 . . . . 72.219999999999999 112.331 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 32.0 tpp -134.31 134.19 41.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 74.420000000000002 110.89 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 -71.44 130.02 40.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 74.310000000000002 110.833 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.473 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 4.9 m -76.19 157.81 82.64 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.626 0.726 . . . . 63.109999999999999 110.879 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.473 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.7 Cg_endo -69.83 -169.61 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.247 . . . . 73.430000000000007 112.288 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.14 41.64 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 75.140000000000001 111.099 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.4 ptp -143.84 -28.07 0.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 64.409999999999997 110.892 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.472 HG12 ' HB3' ' A' ' 45' ' ' CYS . 5.8 t -94.39 138.15 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 74.099999999999994 111.103 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.55 6.34 3.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 53.149999999999999 111.089 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -139.99 154.51 47.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 72.140000000000001 110.908 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.4 m -104.54 137.07 42.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 63.219999999999999 110.819 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.2 ttm -113.14 139.67 48.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 72.510000000000005 110.864 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 85.7 m -141.94 129.64 21.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 74.109999999999999 111.138 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.6 m -126.09 99.4 5.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 73.230000000000004 111.169 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -97.69 100.23 11.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 72.109999999999999 110.859 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 99.3 m -95.95 143.96 26.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 73.030000000000001 111.154 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -139.24 122.4 16.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 73.209999999999994 110.923 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -105.02 -49.66 3.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 74.430000000000007 110.896 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.508 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -129.96 160.98 62.48 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.556 0.693 . . . . 74.25 111.169 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.508 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 54.0 Cg_endo -69.71 -5.39 16.06 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.672 2.248 . . . . 74.409999999999997 112.354 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.3 p -123.83 -1.7 8.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 74.340000000000003 111.135 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -143.98 115.53 8.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 73.010000000000005 110.856 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.4 ptp -132.78 167.65 19.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 73.120000000000005 110.91 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -142.78 138.89 30.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 71.239999999999995 110.894 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.3 p -133.58 151.3 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 73.5 111.169 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 p -152.67 132.12 12.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 73.129999999999995 110.879 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -135.45 149.28 49.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 72.109999999999999 110.878 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 86.1 p -165.62 175.71 8.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 74.219999999999999 110.892 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.472 ' HB3' HG12 ' A' ' 24' ' ' VAL . 1.8 m -98.66 137.67 36.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 63.100000000000001 110.858 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.2 m -146.91 152.61 44.46 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.659 0.742 . . . . 74.049999999999997 111.108 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -42.86 3.02 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.696 2.264 . . . . 75.319999999999993 112.326 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -133.64 130.65 38.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 73.540000000000006 110.838 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 27.4 t -143.23 146.65 33.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 63.020000000000003 110.85 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.19 167.8 21.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 73.239999999999995 110.895 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -66.99 135.62 54.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 75.219999999999999 110.862 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 30.9 m -80.62 100.81 8.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.494 . . . . 54.130000000000003 111.208 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 29.2 t -83.85 90.42 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 74.150000000000006 111.119 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -146.77 91.43 2.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 75.230000000000004 110.918 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -168.1 96.56 0.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 75.519999999999996 110.92 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -162.16 -53.35 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.712 -0.756 . . . . 74.0 112.485 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -139.82 -39.21 0.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.379 . . . . 75.299999999999997 110.948 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.3 t -73.62 -178.13 2.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 71.450000000000003 110.895 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -74.25 109.26 7.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 72.409999999999997 110.928 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 29.6 p80 -105.35 39.23 1.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 74.530000000000001 110.832 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.54 37.7 0.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 74.219999999999999 111.106 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -155.8 127.21 7.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 54.329999999999998 110.847 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.47 133.23 54.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 64.239999999999995 111.163 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 23.3 m -112.34 134.83 53.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.438 . . . . 73.030000000000001 111.1 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.3 m -124.39 138.28 54.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 74.340000000000003 110.85 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.2 m -127.35 159.09 35.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 74.409999999999997 110.841 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -163.13 179.81 7.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 64.25 110.845 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -133.77 10.36 3.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 73.319999999999993 110.949 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -96.81 146.86 24.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 72.540000000000006 110.937 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -57.71 131.83 51.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 71.5 110.898 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 29.7 mt 49.82 32.86 5.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 71.420000000000002 110.898 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.1 p -65.66 -29.95 70.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 73.450000000000003 110.922 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 50.9 p-10 -93.06 25.67 3.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 71.239999999999995 110.941 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.738 . . . . 74.239999999999995 112.494 179.973 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.803 0.335 . . . . 74.540000000000006 110.865 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 53.0 tp -97.09 147.77 23.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 64.310000000000002 110.909 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -110.72 134.97 52.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 72.239999999999995 110.866 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m -156.25 171.89 19.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 75.140000000000001 110.861 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -83.7 109.59 17.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 74.540000000000006 110.885 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 84.8 t -108.87 103.22 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 60.439999999999998 111.101 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.6 p -170.41 -178.13 2.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 64.329999999999998 110.873 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -153.13 134.25 14.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 74.200000000000003 111.084 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -148.27 150.93 34.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 72.349999999999994 110.925 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -95.81 63.79 2.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 74.409999999999997 110.853 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.81 -134.76 1.7 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 71.150000000000006 112.482 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -66.32 -79.5 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.828 0.346 . . . . 73.310000000000002 110.921 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -160.29 125.12 3.83 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.172 -0.467 . . . . 73.140000000000001 110.868 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.9 p -77.1 159.21 29.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 63.439999999999998 110.863 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -130.7 118.01 20.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 74.439999999999998 110.896 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -163.31 85.22 1.35 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.638 0.732 . . . . 75.510000000000005 110.902 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 113.89 3.51 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.713 2.275 . . . . 74.409999999999997 112.376 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -136.9 142.55 42.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 63.240000000000002 110.887 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -77.21 136.3 38.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 74.219999999999999 110.883 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.467 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 5.7 m -76.32 156.88 83.38 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.637 0.732 . . . . 72.519999999999996 110.866 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.467 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.1 Cg_endo -69.73 171.79 13.79 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.741 2.294 . . . . 73.099999999999994 112.346 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.65 57.74 1.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 73.409999999999997 111.055 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.412 ' HG2' ' HG2' ' A' ' 21' ' ' PRO . 2.9 ptt? -157.85 -36.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 74.510000000000005 110.863 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.2 t -93.79 155.33 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 72.530000000000001 111.116 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -151.31 28.69 0.65 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 73.349999999999994 111.09 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -152.17 142.76 22.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 74.329999999999998 110.92 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.3 m -104.94 127.97 53.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 71.420000000000002 110.941 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.9 ttp -115.99 140.73 48.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 62.420000000000002 110.871 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 55.2 m -138.44 115.37 10.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 73.109999999999999 111.107 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -104.05 98.93 8.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 74.230000000000004 111.16 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -95.87 98.81 10.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 71.030000000000001 110.841 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 90.3 m -85.87 142.52 28.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 73.510000000000005 111.142 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -135.64 105.83 6.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 71.239999999999995 110.893 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -97.64 -68.15 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 74.549999999999997 110.952 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.53 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -118.1 160.84 37.56 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.536 0.684 . . . . 75.510000000000005 111.162 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.53 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.7 Cg_endo -69.78 -3.99 13.13 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.648 2.232 . . . . 75.230000000000004 112.371 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 56.6 p -124.75 -2.93 7.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 75.310000000000002 111.155 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 42.7 mtt-85 -145.23 122.25 11.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 70.530000000000001 110.885 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.63 177.74 8.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 73.540000000000006 110.889 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -152.76 149.72 28.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 72.310000000000002 110.908 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.4 p -142.55 150.94 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 73.439999999999998 111.138 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.9 p -146.59 133.51 20.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 74.319999999999993 110.876 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -135.97 133.11 37.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 73.040000000000006 110.867 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.9 p -166.44 165.05 17.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 73.510000000000005 110.821 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 91.1 m -86.77 121.24 29.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 61.200000000000003 110.904 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.2 m -124.71 152.02 68.72 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.636 0.731 . . . . 70.120000000000005 111.114 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -48.81 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.663 2.242 . . . . 72.319999999999993 112.366 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 27.5 mmm-85 -107.4 146.99 30.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 75.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.5 t -84.48 135.64 34.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 71.120000000000005 110.84 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -123.68 73.09 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 75.329999999999998 110.854 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.45 169.22 3.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 74.409999999999997 110.891 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.8 t -72.85 122.08 21.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 70.219999999999999 111.166 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 85.7 t -149.66 87.35 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 71.140000000000001 111.124 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -144.59 145.09 31.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 74.510000000000005 110.904 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -166.97 93.31 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 70.540000000000006 110.858 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -161.74 -56.67 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.707 -0.758 . . . . 73.030000000000001 112.457 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -135.23 -79.27 0.44 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.893 0.377 . . . . 72.420000000000002 110.943 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.6 t -159.39 24.42 0.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 75.430000000000007 110.805 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.13 1.31 28.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 72.200000000000003 110.921 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -95.59 32.29 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 74.209999999999994 110.852 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.16 25.4 1.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 72.420000000000002 111.098 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 96.6 p -143.76 112.18 6.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 74.409999999999997 110.888 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.6 m -91.15 133.41 35.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 65.530000000000001 111.179 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.78 129.95 55.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 73.209999999999994 111.137 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.8 m -121.98 135.83 54.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 74.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 22.1 m -118.23 148.09 42.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 71.310000000000002 110.869 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 p -159.57 175.06 13.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 71.439999999999998 110.865 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -137.17 14.08 3.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 75.439999999999998 110.912 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -96.76 147.34 24.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 75.329999999999998 110.957 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -54.59 128.76 33.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 70.409999999999997 110.877 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.3 mt 49.03 35.36 6.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 74.120000000000005 110.951 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.0 p -65.5 -28.27 69.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 74.230000000000004 110.884 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.5 p-10 -94.85 25.57 4.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 73.430000000000007 110.885 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.745 -0.741 . . . . 74.25 112.481 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.3 mtt . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.804 0.335 . . . . 73.409999999999997 110.919 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 26.6 tp -143.95 149.52 36.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 74.209999999999994 110.882 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.6 128.23 50.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 72.329999999999998 110.848 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.6 m -137.75 164.28 29.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 74.420000000000002 110.917 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -83.1 102.17 11.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 73.019999999999996 110.891 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.9 t -99.88 113.18 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 71.400000000000006 111.136 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.4 p -178.55 171.83 1.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 60.409999999999997 110.876 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -144.86 127.03 15.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 42.340000000000003 111.123 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -145.1 148.52 33.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 73.319999999999993 110.895 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -95.33 66.35 2.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 72.510000000000005 110.92 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.9 -138.59 2.44 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.69 -0.767 . . . . 74.450000000000003 112.485 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -62.56 -76.1 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.808 0.337 . . . . 70.340000000000003 110.911 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.443 ' ND2' ' HZ1' ' A' ' 43' ' ' LYS . 1.1 m-20 -165.74 125.67 1.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 74.510000000000005 110.923 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.5 p -77.1 159.88 29.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 73.299999999999997 110.864 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -132.29 116.28 16.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 74.540000000000006 110.899 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -162.36 87.51 1.44 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.663 0.744 . . . . 75.25 110.884 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 122.37 9.05 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 2.258 . . . . 71.200000000000003 112.341 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -142.4 133.26 25.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 75.540000000000006 110.87 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -74.91 135.31 41.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 73.109999999999999 110.875 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.447 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 3.8 m -76.13 157.05 83.65 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.616 0.722 . . . . 74.219999999999999 110.89 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.447 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.6 Cg_endo -69.81 -171.47 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.713 2.275 . . . . 74.099999999999994 112.338 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.28 48.93 1.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 54.329999999999998 111.116 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.6 ptm -153.27 -33.69 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 74.129999999999995 110.857 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.416 HG11 ' HB3' ' A' ' 45' ' ' CYS . 14.1 t -89.43 142.95 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 70.019999999999996 111.118 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -144.72 30.11 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 64.209999999999994 111.123 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -159.04 150.09 20.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 74.25 110.902 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.6 m -104.39 126.39 51.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 74.140000000000001 110.867 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.0 ttp -102.69 139.11 38.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 73.5 110.908 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 76.0 m -137.04 135.48 37.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 74.400000000000006 111.13 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.6 m -136.28 98.06 3.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 74.040000000000006 111.164 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -97.56 102.01 13.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 73.510000000000005 110.92 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.3 m -89.09 156.93 18.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 73.519999999999996 111.151 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -133.43 102.64 5.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 73.010000000000005 110.929 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -84.88 -66.94 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 73.540000000000006 110.912 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.51 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -116.62 160.58 35.83 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.524 0.678 . . . . 64.049999999999997 111.184 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.51 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.8 Cg_endo -69.84 -5.2 15.69 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.267 . . . . 75.310000000000002 112.356 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.2 p -123.02 -3.9 8.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 75.319999999999993 111.101 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 44.7 mtt85 -145.29 130.74 18.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 75.349999999999994 110.867 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.74 174.4 10.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 73.230000000000004 110.862 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -141.88 155.32 45.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 72.030000000000001 110.875 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 8.5 p -140.87 147.74 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 74.319999999999993 111.115 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.29 126.41 16.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 53.340000000000003 110.788 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.443 ' HZ1' ' ND2' ' A' ' 13' ' ' ASN . 28.0 mttt -134.89 146.84 49.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 75.109999999999999 110.901 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.6 p -164.94 172.54 12.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 73.030000000000001 110.835 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.416 ' HB3' HG11 ' A' ' 24' ' ' VAL . 1.7 m -96.75 122.17 39.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 74.329999999999998 110.905 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 19.0 m -135.92 152.1 75.11 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.618 0.723 . . . . 72.409999999999997 111.161 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -44.58 2.01 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.679 2.253 . . . . 70.319999999999993 112.38 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -134.66 115.79 14.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 75.230000000000004 110.893 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 13.5 t -111.5 140.13 46.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 73.129999999999995 110.893 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -125.02 141.75 51.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 55.109999999999999 110.859 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -64.99 171.01 3.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 73.299999999999997 110.914 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -74.98 125.33 28.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 71.340000000000003 111.092 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 29.5 m -105.16 146.33 12.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 74.239999999999995 111.166 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -155.81 -179.28 7.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.187 -0.46 . . . . 74.5 110.938 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -165.25 82.07 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 72.549999999999997 110.863 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -164.08 -87.46 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 73.340000000000003 112.441 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -136.09 -77.21 0.43 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.874 0.368 . . . . 72.120000000000005 110.956 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.0 m -154.97 86.38 1.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 62.219999999999999 110.844 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -88.91 87.72 7.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 74.439999999999998 110.877 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -99.43 31.71 3.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 65.230000000000004 110.869 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.57 -14.04 46.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 64.409999999999997 111.07 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 82.3 p -156.59 110.92 2.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 72.140000000000001 110.849 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 m -109.44 109.49 20.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.097 -0.501 . . . . 72.400000000000006 111.136 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 28.7 m -99.86 137.5 38.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 75.319999999999993 111.167 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.75 152.76 48.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 71.099999999999994 110.826 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.5 m -136.85 141.34 42.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 75.230000000000004 110.895 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.2 p -153.46 172.81 16.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 73.25 110.912 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -129.12 13.42 6.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 74.329999999999998 110.9 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.416 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 15.7 t80 -96.0 145.36 25.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 72.409999999999997 110.935 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -54.42 129.79 37.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 73.5 110.875 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.6 mt 47.77 35.69 4.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 72.450000000000003 110.968 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.416 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 28.0 p -66.37 -32.71 74.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 54.109999999999999 110.915 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 44.4 p-10 -83.6 -17.3 42.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 74.329999999999998 110.909 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.698 -0.763 . . . . 74.5 112.51 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.789 0.328 . . . . 74.540000000000006 110.876 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 13.3 tp -156.05 146.76 21.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 73.120000000000005 110.891 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.2 129.99 55.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 73.209999999999994 110.855 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.1 m -136.54 166.86 22.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 72.409999999999997 110.904 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -84.05 114.6 21.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 73.329999999999998 110.86 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 86.8 t -112.93 104.56 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 73.420000000000002 111.114 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.8 p -177.73 -175.41 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 70.209999999999994 110.878 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -154.38 136.07 14.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 74.120000000000005 111.064 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -145.67 155.01 42.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 72.340000000000003 110.902 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -95.2 64.13 2.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 75.310000000000002 110.875 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.82 -133.75 1.55 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 73.200000000000003 112.494 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -70.42 -72.85 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 64.25 110.802 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -165.04 127.87 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 72.109999999999999 110.903 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.2 p -76.06 166.37 23.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 72.310000000000002 110.928 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -130.98 113.9 14.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 73.209999999999994 110.872 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -159.32 83.58 2.37 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.586 0.708 . . . . 72.140000000000001 110.897 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 120.03 6.88 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.683 2.255 . . . . 71.439999999999998 112.36 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.2 tpt -139.62 133.34 30.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 74.310000000000002 110.908 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -69.06 131.05 44.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 75.430000000000007 110.88 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.459 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 5.2 m -76.46 156.76 83.17 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.657 0.742 . . . . 64.239999999999995 110.891 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.459 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.3 Cg_endo -69.77 179.07 3.96 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.695 2.263 . . . . 75.120000000000005 112.32 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.07 55.42 1.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 72.5 111.081 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.1 ptm -157.67 -34.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 74.450000000000003 110.872 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.462 HG11 ' HB3' ' A' ' 45' ' ' CYS . 16.8 t -90.79 144.05 9.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 74.430000000000007 111.158 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -140.9 11.41 2.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 72.310000000000002 111.079 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -144.09 154.91 43.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 73.540000000000006 110.935 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.6 m -104.04 140.58 37.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 73.239999999999995 110.861 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.7 ttt -121.9 140.66 52.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 72.439999999999998 110.897 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 94.1 m -146.28 115.56 7.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 75.430000000000007 111.13 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.1 m -113.72 102.14 9.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 73.420000000000002 111.142 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -98.23 109.99 22.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 75.430000000000007 110.878 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.9 158.04 16.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 75.230000000000004 111.131 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -139.64 101.51 4.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.253 -0.43 . . . . 73.200000000000003 110.91 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -84.58 -57.8 2.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.079 -0.51 . . . . 73.409999999999997 110.906 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.51 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -123.6 160.4 51.12 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.599 0.714 . . . . 74.519999999999996 111.124 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.51 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.6 Cg_endo -69.76 -3.73 12.6 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.654 2.236 . . . . 73.200000000000003 112.358 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 p -125.79 -1.53 7.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 64.319999999999993 111.132 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -145.88 129.55 17.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 74.530000000000001 110.891 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -146.05 176.56 9.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 73.510000000000005 110.909 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.74 144.74 25.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 73.319999999999993 110.919 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.0 p -128.64 146.73 33.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.254 -0.43 . . . . 63.109999999999999 111.148 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.02 132.59 34.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 71.040000000000006 110.881 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -134.79 144.04 47.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 73.129999999999995 110.908 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 63.6 p -162.3 178.57 8.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 74.109999999999999 110.827 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.462 ' HB3' HG11 ' A' ' 24' ' ' VAL . 3.3 m -103.25 128.7 50.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 71.150000000000006 110.876 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.1 m -143.13 152.29 57.72 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.592 0.71 . . . . 71.409999999999997 111.135 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -45.63 1.49 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.673 2.249 . . . . 72.109999999999999 112.328 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 44.3 mtm180 -134.03 130.18 37.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 75.120000000000005 110.886 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.6 t -133.28 136.06 45.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 75.219999999999999 110.877 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -111.23 159.15 18.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 70.409999999999997 110.874 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -85.24 131.31 34.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 72.129999999999995 110.914 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.03 94.87 8.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 73.439999999999998 111.147 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 68.8 t -139.77 119.77 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 62.310000000000002 111.17 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -142.96 179.57 6.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 73.230000000000004 110.901 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -159.49 85.98 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 75.239999999999995 110.854 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 107.51 52.3 0.72 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 63.119999999999997 112.47 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -153.85 -39.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.897 0.38 . . . . 74.310000000000002 110.922 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 60.3 p -160.81 -167.24 1.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 74.319999999999993 110.862 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.8 ptpt -74.23 122.13 22.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 75.019999999999996 110.901 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -98.08 29.17 3.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 74.450000000000003 110.883 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.92 13.46 12.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 74.239999999999995 111.13 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.4 p -133.58 127.45 33.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 74.010000000000005 110.87 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 18.7 p -119.52 116.17 25.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 70.400000000000006 111.14 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.1 m -96.56 109.26 21.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 73.209999999999994 111.114 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.0 t -93.64 147.05 23.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 75.510000000000005 110.83 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.2 m -137.1 137.37 39.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 70.200000000000003 110.894 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.04 179.98 7.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 73.409999999999997 110.871 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -134.49 9.7 3.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 71.25 110.915 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -96.42 147.81 23.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.426 . . . . 74.420000000000002 110.893 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -59.21 133.34 56.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.089 -0.505 . . . . 71.310000000000002 110.875 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.9 mt 48.92 32.71 3.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 72.340000000000003 110.888 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.3 p -66.52 -27.42 67.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 70.349999999999994 110.881 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 44.1 p-10 -94.12 26.54 3.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 53.240000000000002 110.903 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 72.430000000000007 112.52 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 mtt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.785 0.326 . . . . 74.329999999999998 110.87 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.5 tp -155.1 148.73 25.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 75.239999999999995 110.951 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.94 131.75 56.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 73.329999999999998 110.894 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.4 m -140.23 167.12 22.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 73.439999999999998 110.907 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -84.11 112.36 20.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 71.030000000000001 110.825 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 63.9 t -109.07 103.74 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 75.530000000000001 111.162 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.9 p -175.71 168.47 3.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 75.040000000000006 110.892 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -142.17 129.07 20.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 60.240000000000002 111.122 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -144.3 146.86 32.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 73.310000000000002 110.932 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -90.11 64.51 6.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 73.319999999999993 110.86 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.13 -140.67 2.93 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.748 . . . . 64.510000000000005 112.49 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -62.22 -77.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.342 . . . . 72.230000000000004 110.875 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -167.07 121.19 1.02 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 74.310000000000002 110.904 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.5 p -76.54 158.16 31.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 74.310000000000002 110.89 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -123.56 119.48 30.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 72.310000000000002 110.861 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -160.55 83.83 2.03 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.581 0.705 . . . . 61.119999999999997 110.835 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 117.75 5.27 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.708 2.272 . . . . 74.310000000000002 112.321 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -137.84 133.42 33.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 70.5 110.887 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -70.58 131.98 44.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 74.5 110.889 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.483 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 5.0 m -75.19 157.71 84.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.619 0.724 . . . . 73.019999999999996 110.88 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.483 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.4 Cg_endo -69.73 179.04 3.96 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.713 2.275 . . . . 74.5 112.35 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.39 52.68 1.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 74.319999999999993 111.118 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.7 ptt? -156.96 -37.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 73.409999999999997 110.892 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.429 HG12 ' HB3' ' A' ' 45' ' ' CYS . 22.0 t -83.52 143.42 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 75.430000000000007 111.143 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.26 32.32 1.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 61.109999999999999 111.095 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -161.17 148.18 14.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 75.219999999999999 110.932 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.4 m -104.61 130.39 52.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 63.43 110.91 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 17.4 ttp -108.43 142.59 38.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 75.549999999999997 110.83 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 98.6 m -142.74 105.72 4.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 62.340000000000003 111.126 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 52.3 m -103.65 97.54 7.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 74.310000000000002 111.132 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -97.11 98.98 10.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 75.329999999999998 110.878 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.9 m -86.54 157.15 19.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 71.040000000000006 111.153 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -134.85 104.85 6.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.259 -0.428 . . . . 73.219999999999999 110.945 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -83.86 -62.5 1.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 75.409999999999997 110.908 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.539 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -124.33 161.25 48.77 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.614 0.721 . . . . 71.200000000000003 111.114 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.539 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.3 Cg_endo -69.81 -2.49 10.3 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.685 2.257 . . . . 72.140000000000001 112.338 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.5 p -122.1 -5.21 8.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 74.409999999999997 111.137 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -147.49 136.79 22.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 74.450000000000003 110.882 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.41 175.05 10.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 74.129999999999995 110.879 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -145.44 153.58 41.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 71.140000000000001 110.908 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.3 p -137.81 148.36 25.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 74.540000000000006 111.119 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.98 115.18 8.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 62.049999999999997 110.893 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -120.62 145.31 47.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 75.239999999999995 110.893 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 52.2 p -165.11 167.58 18.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 53.229999999999997 110.859 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.429 ' HB3' HG12 ' A' ' 24' ' ' VAL . 3.3 m -92.2 121.05 33.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 60.240000000000002 110.9 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.3 m -134.39 152.32 77.8 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.647 0.736 . . . . 74.450000000000003 111.128 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -42.27 3.51 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.697 2.265 . . . . 63.439999999999998 112.317 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? -134.02 127.89 33.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 72.430000000000007 110.87 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 35.4 t -129.39 131.19 46.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 62.409999999999997 110.893 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -123.52 144.09 49.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 72.420000000000002 110.894 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -64.8 175.64 1.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 71.430000000000007 110.899 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.1 t -74.09 147.76 42.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 74.549999999999997 111.131 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.3 p -104.9 117.94 51.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 74.230000000000004 111.091 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -147.41 164.3 33.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.467 . . . . 74.409999999999997 110.929 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -166.37 88.42 0.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 75.099999999999994 110.83 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -163.1 -94.06 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.725 -0.75 . . . . 72.239999999999995 112.454 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -135.41 -52.16 0.76 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.889 0.376 . . . . 75.430000000000007 110.912 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.9 t -155.89 160.3 40.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 71.109999999999999 110.883 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -148.42 91.59 1.92 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 74.439999999999998 110.919 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 24.5 p-80 -98.47 33.27 2.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 65.329999999999998 110.863 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.75 -77.07 0.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 72.329999999999998 111.087 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.8 t -144.77 137.39 26.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 70.329999999999998 110.857 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.21 126.27 52.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 73.340000000000003 111.124 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.5 m -98.11 107.3 19.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 62.310000000000002 111.143 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.7 m -94.54 131.83 39.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 74.430000000000007 110.85 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.0 m -124.51 139.56 53.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 55.340000000000003 110.899 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.4 p -155.0 170.62 21.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 72.310000000000002 110.848 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.8 tm0? -127.49 14.19 7.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 74.409999999999997 110.906 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.436 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 17.7 t80 -96.71 146.15 25.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 74.420000000000002 110.898 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -56.48 130.47 45.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.055 -0.52 . . . . 73.25 110.88 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.9 mt 49.21 33.65 5.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 71.299999999999997 110.903 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.436 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 29.1 p -66.23 -27.97 68.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 73.519999999999996 110.859 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 46.6 p-10 -93.8 26.5 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 75.200000000000003 110.9 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.749 . . . . 74.329999999999998 112.496 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 tpt . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.81 0.338 . . . . 73.209999999999994 110.865 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 58.3 tp -145.58 147.98 32.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 72.439999999999998 110.881 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.416 ' HA ' ' HA ' ' A' ' 19' ' ' ARG . 1.6 m-20 -116.7 139.69 50.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 72.239999999999995 110.854 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m -155.92 176.55 12.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 74.219999999999999 110.891 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -87.87 112.44 22.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 75.209999999999994 110.873 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 72.8 t -111.04 109.59 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 74.340000000000003 111.135 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.5 p -176.85 177.48 1.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 73.409999999999997 110.924 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -150.22 134.11 16.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 75.209999999999994 111.142 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -153.32 146.85 24.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 72.129999999999995 110.854 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -95.28 67.42 2.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 73.329999999999998 110.926 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.67 -136.07 1.93 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.758 -0.734 . . . . 73.129999999999995 112.494 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.6 -77.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 55.020000000000003 110.838 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -166.45 123.17 1.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 55.409999999999997 110.876 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.0 p -77.06 154.66 33.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 74.310000000000002 110.897 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -127.99 122.37 32.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 74.140000000000001 110.866 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -161.94 87.93 1.5 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.646 0.736 . . . . 64.329999999999998 110.876 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 106.96 1.76 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.669 2.246 . . . . 74.439999999999998 112.363 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.6 tpp -139.27 134.88 33.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 65.420000000000002 110.883 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.416 ' HA ' ' HA ' ' A' ' 3' ' ' ASP . 12.3 ttm-85 -77.49 151.81 34.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 74.25 110.906 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.493 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 3.2 m -81.97 159.4 65.77 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.637 0.732 . . . . 62.310000000000002 110.896 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.493 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.2 Cg_endo -69.75 -177.79 2.04 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 63.539999999999999 112.327 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.78 52.55 1.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 40.200000000000003 111.119 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -157.98 -39.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 70.349999999999994 110.897 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 53.4 t -85.88 148.36 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 75.430000000000007 111.164 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -147.42 32.76 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 70.510000000000005 111.071 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -156.61 153.47 28.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 74.25 110.963 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.8 m -110.1 133.12 53.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.503 . . . . 74.340000000000003 110.892 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.3 ttt -113.33 137.05 52.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 75.530000000000001 110.875 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.7 m -135.43 125.42 25.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 72.439999999999998 111.109 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.0 m -126.59 97.54 5.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 74.230000000000004 111.165 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -95.22 100.6 12.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 73.209999999999994 110.876 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.2 m -94.16 138.88 31.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 71.310000000000002 111.155 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -142.95 127.97 18.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 74.5 110.946 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -105.26 -45.33 4.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 73.230000000000004 110.952 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.569 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -136.26 162.75 54.63 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.627 0.727 . . . . 70.340000000000003 111.111 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.569 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 54.1 Cg_endo -69.72 -2.33 9.95 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.653 2.235 . . . . 73.0 112.368 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.7 p -122.35 -2.65 9.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 74.200000000000003 111.193 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -147.3 120.15 8.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 63.310000000000002 110.905 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.6 ptp -144.9 176.5 9.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 62.439999999999998 110.852 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -153.21 154.05 33.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 74.349999999999994 110.93 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.2 p -139.05 149.51 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 74.030000000000001 111.128 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.31 127.04 15.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 75.409999999999997 110.855 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.3 mttt -135.43 140.1 44.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 72.099999999999994 110.892 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.1 p -165.9 174.16 9.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 73.209999999999994 110.868 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.0 m -98.13 125.61 43.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 63.340000000000003 110.845 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 28.3 m -132.3 153.0 81.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.596 0.712 . . . . 74.120000000000005 111.103 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -42.74 3.18 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.654 2.236 . . . . 73.439999999999998 112.353 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -134.48 107.27 7.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 75.400000000000006 110.915 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 52.6 t -101.92 145.09 29.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 74.450000000000003 110.886 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -137.85 147.61 44.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 74.519999999999996 110.868 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -64.78 173.54 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 73.230000000000004 110.911 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 35.2 m -74.63 128.98 36.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 74.239999999999995 111.176 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.3 m -139.45 154.66 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 62.049999999999997 111.155 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -164.95 170.96 14.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 73.120000000000005 110.956 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -144.5 42.4 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 71.239999999999995 110.867 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -103.66 -94.82 2.32 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 73.310000000000002 112.469 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -139.19 -75.63 0.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.848 0.356 . . . . 72.400000000000006 110.895 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.2 t -154.91 103.7 2.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 74.219999999999999 110.858 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.0 mmmm -144.69 86.89 1.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.494 . . . . 73.420000000000002 110.924 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -105.61 33.95 3.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 72.299999999999997 110.857 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.48 16.42 5.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 74.010000000000005 111.1 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.9 m -155.26 117.29 4.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 71.230000000000004 110.877 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.1 m -116.65 113.43 22.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 61.450000000000003 111.133 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 22.5 m -106.4 141.12 38.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 71.340000000000003 111.174 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.2 t -132.24 155.2 48.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 74.420000000000002 110.849 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.5 m -133.96 142.28 47.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.5 . . . . 74.340000000000003 110.882 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.9 p -151.03 177.48 10.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 52.020000000000003 110.866 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -139.14 12.95 2.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 72.530000000000001 110.904 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.407 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 30.3 t80 -95.99 148.9 22.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 74.519999999999996 110.894 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -53.98 129.07 32.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 74.409999999999997 110.861 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.1 mt 47.66 35.67 4.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 72.439999999999998 110.948 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.407 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 27.3 p -65.37 -29.56 70.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 74.25 110.861 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.5 p-10 -94.29 25.38 3.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 71.420000000000002 110.887 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.783 -0.722 . . . . 71.409999999999997 112.482 179.978 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.4 tpp . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.837 0.351 . . . . 73.129999999999995 110.844 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 35.4 tp -155.13 150.88 27.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 73.219999999999999 110.945 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -120.65 128.31 52.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 74.420000000000002 110.866 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.3 m -138.18 163.65 31.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 72.25 110.862 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -83.57 107.44 16.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 73.329999999999998 110.874 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.5 t -104.84 108.87 25.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 72.120000000000005 111.119 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.4 p -175.52 160.69 2.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 55.43 110.868 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -134.92 130.71 36.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 74.140000000000001 111.098 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -144.48 151.27 38.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 73.420000000000002 110.877 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 -95.11 63.72 2.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 75.530000000000001 110.893 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.84 -137.99 2.31 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.764 -0.732 . . . . 74.329999999999998 112.509 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -64.7 -77.54 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.816 0.341 . . . . 61.420000000000002 110.844 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -167.61 122.33 1.01 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 74.450000000000003 110.858 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.5 p -76.24 177.92 6.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 72.010000000000005 110.866 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -143.82 120.99 11.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 62.509999999999998 110.863 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -163.52 87.47 1.24 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.656 0.741 . . . . 71.340000000000003 110.896 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 122.13 8.83 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.713 2.276 . . . . 73.540000000000006 112.353 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 49.0 mmm -141.14 137.78 32.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 74.129999999999995 110.866 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -75.46 133.96 40.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 74.510000000000005 110.941 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.468 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 3.9 m -76.07 157.74 82.95 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.616 0.722 . . . . 72.230000000000004 110.905 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.468 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.5 Cg_endo -69.74 175.21 8.39 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.727 2.285 . . . . 64.019999999999996 112.316 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.14 52.46 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 72.129999999999995 111.103 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.8 ptp -156.88 -39.48 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 74.319999999999993 110.865 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.417 HG11 ' HB3' ' A' ' 45' ' ' CYS . 39.3 t -82.01 146.04 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 62.399999999999999 111.14 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -147.63 31.36 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 70.030000000000001 111.053 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -158.83 147.26 18.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 73.519999999999996 110.913 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.6 m -104.82 128.11 52.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 71.349999999999994 110.904 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.9 ttm -113.68 143.91 43.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 71.319999999999993 110.864 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.4 m -145.94 118.42 8.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 72.310000000000002 111.158 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -107.16 100.1 9.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 73.540000000000006 111.143 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -97.43 97.53 9.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 75.319999999999993 110.875 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.0 m -91.54 115.49 28.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 73.140000000000001 111.13 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -105.65 120.5 41.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 63.119999999999997 110.895 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -105.59 -69.1 0.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 73.109999999999999 110.939 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.543 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -117.22 161.2 34.22 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.574 0.702 . . . . 73.310000000000002 111.148 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.543 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 54.0 Cg_endo -69.73 -5.13 15.44 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.692 2.261 . . . . 72.019999999999996 112.37 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.7 p -121.85 -5.26 9.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 75.340000000000003 111.189 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -144.45 122.75 12.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 75.530000000000001 110.815 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -141.52 166.04 25.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 74.230000000000004 110.889 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -137.81 145.71 42.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 74.0 110.927 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.4 p -142.8 145.16 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 72.409999999999997 111.104 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.23 126.91 13.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 75.0 110.899 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.3 145.85 51.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 73.439999999999998 110.859 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 82.8 p -166.05 171.99 11.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 72.530000000000001 110.9 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.417 ' HB3' HG11 ' A' ' 24' ' ' VAL . 1.7 m -94.81 123.57 38.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 61.130000000000003 110.856 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.4 m -133.01 152.58 80.01 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.616 0.722 . . . . 74.409999999999997 111.127 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -44.96 1.78 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.725 2.284 . . . . 74.140000000000001 112.324 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -134.32 107.46 7.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 73.239999999999995 110.865 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.7 t -97.57 138.32 35.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 64.400000000000006 110.92 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -113.69 139.06 49.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 75.230000000000004 110.895 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -64.53 -178.33 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 71.310000000000002 110.817 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.1 t -73.13 115.2 12.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.082 -0.508 . . . . 74.030000000000001 111.151 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.8 t -144.85 141.63 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 65.409999999999997 111.101 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -145.54 173.42 12.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 73.030000000000001 110.917 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -165.49 89.18 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 74.519999999999996 110.85 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -162.09 -82.87 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.74 . . . . 44.539999999999999 112.496 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -136.69 -77.14 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 72.329999999999998 110.912 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 91.1 p -158.0 92.92 1.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 64.420000000000002 110.808 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -149.51 116.23 5.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 74.219999999999999 110.917 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -154.25 43.29 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 75.420000000000002 110.869 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.29 22.51 2.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 75.329999999999998 111.114 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t -155.67 135.24 12.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 75.140000000000001 110.876 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.0 131.17 53.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 72.340000000000003 111.138 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 29.4 m -100.51 131.58 46.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 73.519999999999996 111.132 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 m -113.73 129.97 56.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 72.150000000000006 110.871 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.7 m -122.62 134.86 54.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 65.340000000000003 110.865 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.6 p -155.91 173.25 17.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 71.209999999999994 110.911 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.5 tm0? -131.12 12.35 5.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 74.099999999999994 110.909 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.406 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 14.5 t80 -95.75 144.09 26.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 74.310000000000002 110.915 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -54.63 129.8 37.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.081 -0.508 . . . . 61.25 110.873 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 17.4 mt 48.58 35.38 6.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 73.450000000000003 110.945 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.406 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 26.5 p -65.78 -34.17 77.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 71.140000000000001 110.889 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 49.6 p-10 -83.5 -17.47 41.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 73.019999999999996 110.885 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 C-N-CA 120.749 -0.739 . . . . 51.310000000000002 112.504 179.957 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.805 0.336 . . . . 73.040000000000006 110.874 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 57.3 tp -135.7 147.34 48.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 72.340000000000003 110.944 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.411 ' HA ' ' HA ' ' A' ' 19' ' ' ARG . 1.6 m-20 -113.9 138.78 49.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 73.540000000000006 110.887 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m -155.97 171.58 19.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 74.129999999999995 110.906 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -84.39 111.35 19.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 73.420000000000002 110.824 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 94.7 t -111.96 112.36 40.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 71.319999999999993 111.111 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 30.8 p -175.13 177.11 1.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 73.219999999999999 110.881 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.84 136.55 20.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 64.299999999999997 111.094 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -157.01 147.77 21.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 74.439999999999998 110.892 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -95.04 66.74 3.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 73.430000000000007 110.909 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.07 -133.93 1.56 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 72.040000000000006 112.483 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -67.4 -78.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 72.439999999999998 110.843 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -167.14 119.14 0.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 65.420000000000002 110.886 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 32.1 p -77.53 151.82 34.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 70.219999999999999 110.884 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -120.55 127.8 52.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 71.109999999999999 110.912 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -165.49 89.27 0.94 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.619 0.723 . . . . 75.200000000000003 110.935 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 107.92 1.97 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.699 2.266 . . . . 71.530000000000001 112.338 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.5 ttm -138.37 134.63 34.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 71.329999999999998 110.891 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.411 ' HA ' ' HA ' ' A' ' 3' ' ' ASP . 13.2 ttm-85 -76.9 151.15 35.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 75.510000000000005 110.903 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.489 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 16.1 m -83.93 158.1 62.35 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.676 0.75 . . . . 71.329999999999998 110.851 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.489 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.0 Cg_endo -69.75 174.05 10.07 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.266 . . . . 72.319999999999993 112.353 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.34 55.79 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 73.230000000000004 111.118 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.7 ptp -158.15 -38.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 71.329999999999998 110.883 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.3 t -92.13 149.93 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 71.030000000000001 111.151 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -148.11 39.83 0.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 75.310000000000002 111.079 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -160.59 143.82 13.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 72.019999999999996 110.91 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.7 m -105.86 133.86 49.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 71.099999999999994 110.834 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.3 ttt -124.03 144.27 49.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 73.25 110.887 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 60.6 m -143.96 118.29 9.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 54.420000000000002 111.132 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.15 101.67 10.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 73.430000000000007 111.121 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -96.17 99.77 11.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 62.409999999999997 110.864 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.9 m -94.14 141.24 28.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 73.409999999999997 111.126 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -143.45 123.02 13.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 74.219999999999999 110.938 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -105.07 -46.83 4.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 73.200000000000003 110.916 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.525 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -130.01 161.24 61.04 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.597 0.713 . . . . 74.420000000000002 111.178 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.525 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 54.2 Cg_endo -69.7 -5.12 15.41 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.666 2.244 . . . . 71.239999999999995 112.353 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.3 p -124.04 -2.85 8.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 70.510000000000005 111.145 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -141.47 114.94 8.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 72.519999999999996 110.836 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.23 175.22 10.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 65.420000000000002 110.863 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -152.41 155.9 38.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 73.519999999999996 110.921 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.9 p -140.84 150.54 20.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 63.340000000000003 111.156 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 p -144.44 122.39 12.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 64.140000000000001 110.891 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.9 mttm -129.53 133.35 47.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 75.530000000000001 110.918 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.3 p -166.6 175.06 8.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 70.120000000000005 110.845 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 95.4 m -91.89 136.28 33.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 75.140000000000001 110.901 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 31.8 m -138.11 152.94 72.83 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.589 0.709 . . . . 71.140000000000001 111.143 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -46.11 1.34 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.709 2.273 . . . . 74.099999999999994 112.322 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 38.7 mtp180 -137.68 109.19 6.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 75.319999999999993 110.838 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 49.7 t -99.81 141.92 31.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 73.239999999999995 110.894 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -129.16 132.55 47.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 72.409999999999997 110.874 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -64.78 128.04 34.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 73.439999999999998 110.892 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.1 m -74.65 121.79 22.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 75.239999999999995 111.167 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.5 t -143.38 135.4 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 75.150000000000006 111.13 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -144.65 -168.24 2.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 73.340000000000003 110.927 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -158.73 89.79 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 72.450000000000003 110.892 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -160.03 -103.0 0.18 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 64.030000000000001 112.488 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -154.61 -77.57 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.92 0.39 . . . . 72.019999999999996 110.917 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.6 m -87.74 18.38 4.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 72.010000000000005 110.88 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -95.78 -2.44 47.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 75.030000000000001 110.905 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -105.57 31.51 4.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 71.340000000000003 110.907 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.14 15.3 6.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 62.32 111.119 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.9 t -155.02 129.85 9.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 72.230000000000004 110.841 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.49 117.29 24.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.496 . . . . 73.340000000000003 111.145 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.5 m -98.61 143.42 29.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 73.099999999999994 111.143 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 t -126.19 148.49 49.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 74.430000000000007 110.872 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.9 m -134.79 138.01 43.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 72.129999999999995 110.853 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.0 p -156.04 175.48 13.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 64.519999999999996 110.88 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -137.82 13.08 2.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 73.209999999999994 110.918 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -95.86 148.45 22.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 75.549999999999997 110.903 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -53.98 129.48 34.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 64.450000000000003 110.842 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 28.2 mt 47.5 35.91 4.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 73.129999999999995 110.884 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 27.0 p -65.32 -31.41 72.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 62.43 110.901 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -94.04 25.64 3.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 72.25 110.891 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 C-N-CA 120.748 -0.739 . . . . 74.450000000000003 112.452 179.98 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.9 mtt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.82 0.343 . . . . 73.219999999999999 110.855 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 39.7 tp -145.73 149.73 34.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 73.040000000000006 110.929 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.27 139.11 53.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 73.439999999999998 110.816 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m -154.72 173.91 15.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 64.219999999999999 110.896 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -83.92 115.71 22.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 73.329999999999998 110.875 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.5 t -113.46 102.31 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 71.409999999999997 111.142 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.5 p -175.81 -176.46 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 73.129999999999995 110.89 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -153.81 137.05 15.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.464 . . . . 75.409999999999997 111.129 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -150.1 136.65 19.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 74.010000000000005 110.935 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.433 ' HA ' ' HA ' ' A' ' 40' ' ' LYS . 0.7 OUTLIER -76.78 64.49 2.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 54.25 110.875 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.71 -138.09 2.33 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.774 -0.727 . . . . 22.399999999999999 112.522 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.69 -77.54 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.825 0.345 . . . . 73.340000000000003 110.856 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -165.58 122.73 1.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 74.219999999999999 110.868 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.3 p -76.71 157.77 31.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 63.310000000000002 110.88 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -121.9 117.75 27.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 73.340000000000003 110.923 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -161.73 84.87 1.68 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.618 0.723 . . . . 71.099999999999994 110.877 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 125.94 12.72 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.658 2.239 . . . . 51.340000000000003 112.373 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.8 tpp -145.22 138.57 26.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 74.230000000000004 110.904 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.0 tpp180 -75.28 129.93 38.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 65.219999999999999 110.88 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.473 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 5.9 m -75.5 157.34 84.55 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.601 0.715 . . . . 74.340000000000003 110.933 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.473 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.3 Cg_endo -69.68 177.26 5.7 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.686 2.257 . . . . 74.420000000000002 112.363 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.8 55.64 1.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 65.140000000000001 111.12 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 14.2 ptp -158.13 -39.09 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 74.549999999999997 110.841 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.471 HG11 ' HB3' ' A' ' 45' ' ' CYS . 20.8 t -78.05 141.07 16.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 74.340000000000003 111.12 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -139.16 11.31 2.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 72.349999999999994 111.127 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -147.69 147.62 30.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 75.450000000000003 110.883 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.9 m -103.86 125.4 50.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.505 . . . . 53.140000000000001 110.904 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.6 ttp -100.99 143.54 31.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 73.209999999999994 110.863 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 81.9 m -145.48 109.88 4.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 72.409999999999997 111.153 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.56 100.17 9.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 72.209999999999994 111.147 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -96.13 101.62 13.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 75.349999999999994 110.89 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.7 m -95.41 134.32 38.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 74.099999999999994 111.105 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.4 p90 -135.24 116.34 14.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 71.340000000000003 110.937 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -99.38 -46.33 5.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.505 . . . . 75.219999999999999 110.961 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.533 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -131.85 161.29 63.43 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.583 0.706 . . . . 71.409999999999997 111.155 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.533 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 54.0 Cg_endo -69.7 -5.42 16.14 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.722 2.282 . . . . 71.120000000000005 112.342 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.8 p -123.71 -2.34 8.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 73.030000000000001 111.128 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -142.48 113.97 7.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 74.200000000000003 110.867 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.7 ptp -137.12 175.87 9.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 73.299999999999997 110.898 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 10' ' ' ASN . 18.3 tptm -154.57 145.45 22.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 73.019999999999996 110.907 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.0 p -131.66 152.19 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 74.549999999999997 111.168 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.2 p -145.81 127.89 15.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 63.119999999999997 110.889 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -133.14 140.88 47.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 74.420000000000002 110.878 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 95.1 p -161.3 170.71 19.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 74.040000000000006 110.862 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.471 ' HB3' HG11 ' A' ' 24' ' ' VAL . 8.6 m -99.01 125.62 44.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 74.329999999999998 110.928 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 28.6 m -139.09 152.68 70.42 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.609 0.719 . . . . 62.109999999999999 111.121 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 -40.19 5.51 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.694 2.262 . . . . 64.25 112.378 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.6 mmt85 -133.86 127.12 31.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 75.549999999999997 110.902 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 42.1 t -131.31 127.59 38.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 73.519999999999996 110.887 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -111.73 127.07 55.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 53.219999999999999 110.908 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -64.58 135.85 56.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 72.519999999999996 110.858 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.5 m -144.79 111.23 5.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 73.540000000000006 111.111 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.6 p -107.54 -33.42 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 75.109999999999999 111.121 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -166.73 69.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 73.129999999999995 110.905 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -157.42 77.66 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 74.120000000000005 110.821 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -163.62 -96.04 0.11 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.704 -0.76 . . . . 73.510000000000005 112.46 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -144.35 -42.08 0.26 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.884 0.373 . . . . 74.099999999999994 110.945 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.8 m -85.06 -175.22 5.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 75.219999999999999 110.888 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.1 mmtm -76.14 -176.66 3.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 75.129999999999995 110.867 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -88.08 38.95 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 74.239999999999995 110.852 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.74 18.66 3.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 74.049999999999997 111.096 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.6 m -155.93 126.97 7.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 75.430000000000007 110.893 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.75 114.13 21.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 74.120000000000005 111.109 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.6 m -94.67 113.42 25.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 74.430000000000007 111.161 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.65 153.35 18.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 72.219999999999999 110.833 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 13.7 m -138.94 143.72 38.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 74.239999999999995 110.876 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.7 p -156.45 179.98 8.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 73.420000000000002 110.875 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -139.95 12.4 2.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 74.120000000000005 110.901 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.412 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 25.8 t80 -96.03 148.09 23.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 74.310000000000002 110.909 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -54.4 128.83 33.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.103 -0.499 . . . . 75.230000000000004 110.902 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.6 mt 48.89 34.98 5.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 75.209999999999994 110.913 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.412 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 27.6 p -65.6 -27.08 68.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 63.450000000000003 110.874 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 51.6 p30 -94.6 26.27 3.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 72.109999999999999 110.856 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.747 . . . . 54.100000000000001 112.492 179.939 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.779 0.323 . . . . 74.299999999999997 110.879 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 34.8 tp -151.83 150.2 29.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 75.219999999999999 110.971 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.44 130.44 53.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 71.129999999999995 110.862 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.7 m -140.59 163.56 32.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 72.349999999999994 110.883 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -83.39 104.32 13.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 75.349999999999994 110.847 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 84.4 t -101.77 110.93 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 72.030000000000001 111.125 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.1 p -177.43 162.84 1.92 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 65.519999999999996 110.884 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -134.89 129.23 34.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 53.200000000000003 111.102 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -145.54 147.39 32.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 74.230000000000004 110.899 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -95.32 65.29 2.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 74.430000000000007 110.874 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.19 -139.13 2.56 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.741 -0.742 . . . . 42.039999999999999 112.508 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -63.23 -75.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.856 0.36 . . . . 64.25 110.895 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -165.43 126.37 1.92 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 75.209999999999994 110.863 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.8 p -77.07 173.47 11.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 61.32 110.849 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -144.46 116.05 8.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 72.430000000000007 110.919 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -162.75 87.68 1.36 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.64 0.733 . . . . 72.340000000000003 110.86 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 119.37 6.33 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.692 2.261 . . . . 73.510000000000005 112.334 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -138.88 133.77 32.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 74.450000000000003 110.87 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.4 tpp180 -75.19 133.33 41.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 74.409999999999997 110.908 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.462 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 3.4 m -76.76 157.92 81.32 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.647 0.736 . . . . 74.129999999999995 110.904 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.462 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.0 Cg_endo -69.77 -170.5 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 2.263 . . . . 71.140000000000001 112.317 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.48 36.92 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 61.140000000000001 111.107 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.2 ptp -140.79 -28.46 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 72.25 110.88 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.432 HG11 ' HB3' ' A' ' 45' ' ' CYS . 15.6 t -94.42 141.88 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 74.530000000000001 111.135 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.16 28.79 1.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 71.030000000000001 111.075 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -155.9 147.47 22.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 74.540000000000006 110.931 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.3 m -104.3 124.44 49.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 74.120000000000005 110.867 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.3 ttt -104.08 138.34 40.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 71.439999999999998 110.893 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 65.9 m -143.2 114.93 8.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 75.120000000000005 111.139 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.2 m -111.77 102.37 10.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 74.109999999999999 111.117 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -98.19 104.41 16.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 74.019999999999996 110.892 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.8 m -96.52 161.8 13.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 73.439999999999998 111.137 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -133.8 106.82 7.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 73.040000000000006 110.906 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -84.5 -70.38 0.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 72.209999999999994 110.926 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.509 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -111.97 161.05 27.56 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.632 0.73 . . . . 73.450000000000003 111.123 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.509 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.9 Cg_endo -69.76 -4.87 14.9 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.695 2.263 . . . . 73.230000000000004 112.325 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.9 p -123.58 -4.24 8.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 72.120000000000005 111.126 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.6 mtp-105 -145.03 132.85 21.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 74.230000000000004 110.902 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -134.2 170.08 16.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 74.420000000000002 110.88 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -137.55 147.72 45.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 63.340000000000003 110.873 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.5 p -136.99 150.47 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 65.120000000000005 111.158 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.5 p -143.69 129.67 19.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 71.209999999999994 110.88 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.4 mttm -135.61 145.85 47.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 74.439999999999998 110.884 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.3 p -166.5 175.68 7.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 71.230000000000004 110.835 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.432 ' HB3' HG11 ' A' ' 24' ' ' VAL . 1.6 m -100.21 120.9 40.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.493 . . . . 75.400000000000006 110.897 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.4 m -131.87 152.01 79.54 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.619 0.723 . . . . 73.319999999999993 111.124 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -43.36 2.67 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.678 2.252 . . . . 72.439999999999998 112.347 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.2 mmt85 -133.9 125.05 27.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 75.409999999999997 110.875 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 41.1 t -132.13 126.32 33.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 44.100000000000001 110.842 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -111.09 140.49 45.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 72.310000000000002 110.897 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -64.12 132.31 50.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 72.310000000000002 110.914 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 93.5 m -74.4 100.41 3.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 74.319999999999993 111.16 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.7 p -105.18 102.37 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 75.040000000000006 111.113 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -152.7 99.51 2.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 75.230000000000004 110.901 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -156.38 74.08 0.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 75.230000000000004 110.828 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.78 -48.79 64.51 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.702 -0.761 . . . . 65.209999999999994 112.49 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -138.18 -42.66 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.876 0.369 . . . . 74.129999999999995 110.913 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.4 t -165.49 92.24 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 74.239999999999995 110.861 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.1 mttp -146.89 111.55 5.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 75.019999999999996 110.912 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 -147.68 40.16 0.99 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 72.340000000000003 110.851 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.79 -12.2 54.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 61.140000000000001 111.114 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.7 p -157.35 138.47 13.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 74.099999999999994 110.877 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.6 t -144.76 145.71 31.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 74.540000000000006 111.173 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.8 m -122.77 134.98 54.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 73.099999999999994 111.153 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.9 m -116.1 146.26 42.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 75.329999999999998 110.862 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 5.2 m -133.84 140.61 46.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 73.209999999999994 110.874 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.1 p -152.72 178.39 9.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 64.239999999999995 110.899 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -134.2 11.59 3.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 70.109999999999999 110.934 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.414 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 18.0 t80 -95.36 146.38 24.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 72.120000000000005 110.931 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -54.28 130.42 38.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 74.299999999999997 110.836 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.8 mt 46.6 36.05 3.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 70.040000000000006 110.877 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.414 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 27.2 p -65.8 -33.49 75.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 62.140000000000001 110.9 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 45.0 p-10 -83.66 -21.26 32.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 71.519999999999996 110.929 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.737 -0.744 . . . . 64.230000000000004 112.534 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 ttp . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.797 0.332 . . . . 72.340000000000003 110.894 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 27.1 tp -155.17 148.84 25.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 74.109999999999999 110.92 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.0 140.11 51.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 73.120000000000005 110.82 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m -155.9 174.32 15.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 51.340000000000003 110.923 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -83.6 118.62 23.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 74.430000000000007 110.906 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.3 t -117.59 105.86 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 74.510000000000005 111.137 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.7 p -178.4 176.51 1.04 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 72.140000000000001 110.892 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -144.07 130.12 19.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 70.150000000000006 111.124 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -144.63 152.93 41.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 74.129999999999995 110.946 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 54.2 m-20 -95.16 64.54 2.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 65.319999999999993 110.921 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.19 -136.53 2.01 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 72.200000000000003 112.497 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -67.13 -76.43 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.789 0.328 . . . . 74.340000000000003 110.899 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -166.51 121.8 1.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 72.049999999999997 110.905 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.2 p -76.22 141.98 41.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 70.209999999999994 110.882 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -106.55 117.1 33.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 72.530000000000001 110.824 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -160.79 81.64 2.13 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.631 0.729 . . . . 65.519999999999996 110.902 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 122.3 8.97 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.657 2.238 . . . . 54.229999999999997 112.308 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 33.7 mmm -139.93 141.33 36.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 73.209999999999994 110.91 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -75.99 129.57 37.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 73.450000000000003 110.908 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.468 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 8.3 m -74.02 157.32 87.14 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.627 0.727 . . . . 70.019999999999996 110.914 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.468 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.6 Cg_endo -69.83 174.2 9.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.704 2.269 . . . . 71.109999999999999 112.316 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.13 53.84 0.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 74.430000000000007 111.074 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.1 ptm -156.32 -39.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 72.349999999999994 110.882 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.463 HG12 ' HB3' ' A' ' 45' ' ' CYS . 41.2 t -78.08 146.25 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 72.310000000000002 111.158 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.29 22.81 1.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 62.0 111.089 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -157.58 149.19 21.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 73.129999999999995 110.91 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.8 m -104.79 127.28 52.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 70.109999999999999 110.846 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.8 ttt -107.22 141.15 38.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 74.420000000000002 110.84 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 36.0 m -145.87 115.57 7.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 72.239999999999995 111.163 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 36.6 m -108.97 106.21 16.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 73.340000000000003 111.101 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.08 106.42 18.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 75.239999999999995 110.887 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.5 m -95.18 156.68 16.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 75.439999999999998 111.122 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -133.85 100.95 4.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 71.450000000000003 110.919 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -85.02 -69.5 0.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 73.540000000000006 110.942 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.516 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -114.67 160.58 32.74 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.597 0.713 . . . . 74.099999999999994 111.107 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.516 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.5 Cg_endo -69.78 -5.0 15.18 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.692 2.261 . . . . 72.329999999999998 112.335 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.4 p -123.14 -4.28 8.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 74.299999999999997 111.137 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.9 mmt85 -145.52 132.11 19.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 73.340000000000003 110.863 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.84 177.28 7.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 74.5 110.862 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -141.61 144.64 34.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 74.120000000000005 110.878 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.8 p -135.66 142.99 37.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 73.209999999999994 111.128 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.54 132.14 34.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 72.340000000000003 110.855 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -135.01 139.01 44.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 64.5 110.879 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.8 p -162.25 168.32 22.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 74.219999999999999 110.839 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.463 ' HB3' HG12 ' A' ' 24' ' ' VAL . 1.7 m -99.24 123.07 43.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 74.420000000000002 110.817 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.2 m -135.26 151.55 75.22 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.639 0.733 . . . . 74.209999999999994 111.122 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -41.48 4.28 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.67 2.247 . . . . 72.430000000000007 112.366 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.7 mtp85 -134.04 119.36 18.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 73.140000000000001 110.862 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.7 t -115.95 133.62 55.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 75.120000000000005 110.903 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -126.45 136.9 53.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 74.340000000000003 110.924 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -65.18 176.88 1.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 73.209999999999994 110.863 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 10.9 t -73.68 174.91 7.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 73.439999999999998 111.133 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.4 p -137.25 124.52 30.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 51.310000000000002 111.164 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -147.26 172.27 14.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 74.310000000000002 110.93 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -165.11 87.05 0.42 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 72.340000000000003 110.856 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -162.67 -98.56 0.13 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.756 -0.735 . . . . 71.510000000000005 112.515 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -136.92 -52.26 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.911 0.386 . . . . 72.239999999999995 110.961 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.8 p -156.04 169.21 24.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.092 -0.504 . . . . 75.129999999999995 110.869 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.95 90.66 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 75.329999999999998 110.896 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -95.39 35.18 1.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 75.530000000000001 110.885 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.51 -76.43 0.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 64.109999999999999 111.1 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.9 t -144.26 152.31 40.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 64.400000000000006 110.88 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.5 t -145.45 167.93 21.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 74.129999999999995 111.129 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.3 m -129.96 145.33 51.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 74.5 111.137 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.5 t -126.62 139.61 53.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 64.5 110.888 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.9 m -126.25 137.64 53.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 75.409999999999997 110.884 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.7 p -152.92 174.37 14.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 73.420000000000002 110.878 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.6 tm0? -134.27 13.87 3.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 72.129999999999995 110.934 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.429 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 17.4 t80 -96.36 145.93 25.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 73.299999999999997 110.91 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -54.61 129.18 35.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 74.129999999999995 110.889 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.5 mt 48.3 35.53 5.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 75.049999999999997 110.898 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 27.8 p -65.86 -26.44 67.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 70.439999999999998 110.876 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 -94.54 25.79 3.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 55.130000000000003 110.844 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.79 -0.719 . . . . 50.229999999999997 112.514 179.942 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.9 mtt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.803 0.335 . . . . 73.129999999999995 110.869 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 17.4 tp -155.37 148.54 24.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 73.400000000000006 110.88 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.67 133.23 56.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 64.430000000000007 110.888 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 21.8 m -139.98 168.48 19.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 74.510000000000005 110.83 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -84.33 112.81 20.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 74.430000000000007 110.836 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 80.1 t -109.5 100.19 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 74.129999999999995 111.151 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.9 p -176.11 170.64 2.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 65.25 110.882 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -142.02 134.53 28.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 71.510000000000005 111.084 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -145.27 151.75 38.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 72.329999999999998 110.943 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -93.42 63.7 3.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 64.129999999999995 110.927 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.21 -138.02 2.32 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.749 -0.739 . . . . 55.299999999999997 112.488 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -65.98 -75.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 73.519999999999996 110.862 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -165.88 127.05 1.86 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 64.420000000000002 110.849 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.6 p -79.94 162.42 24.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 64.140000000000001 110.855 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -125.64 115.01 19.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 75.540000000000006 110.886 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 37.7 t-20 -158.11 82.63 2.82 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.587 0.708 . . . . 72.310000000000002 110.875 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 122.25 8.92 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.699 2.266 . . . . 73.510000000000005 112.34 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -142.21 133.29 26.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 75.230000000000004 110.9 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -69.56 132.98 47.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 75.530000000000001 110.836 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.471 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 3.9 m -76.32 157.71 82.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.647 0.737 . . . . 73.099999999999994 110.865 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.471 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.1 Cg_endo -69.77 -179.68 3.08 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.733 2.289 . . . . 65.430000000000007 112.378 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.42 54.52 1.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 71.420000000000002 111.113 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.9 ptp -158.28 -39.45 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 71.5 110.882 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.457 HG11 ' HB3' ' A' ' 45' ' ' CYS . 37.4 t -84.14 144.58 9.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 53.450000000000003 111.123 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.79 27.34 1.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 74.319999999999993 111.075 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -156.4 152.63 27.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 72.420000000000002 110.873 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.1 m -104.7 141.61 36.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 75.230000000000004 110.89 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.3 ttm -120.2 143.37 48.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 74.209999999999994 110.878 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 88.0 m -145.17 111.38 5.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 75.329999999999998 111.129 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.0 m -111.64 101.77 10.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 72.030000000000001 111.14 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -97.32 103.6 15.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 75.340000000000003 110.863 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 98.5 m -87.39 136.3 32.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 74.150000000000006 111.15 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -106.25 111.99 24.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 75.420000000000002 110.92 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -98.13 -80.53 0.45 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 75.340000000000003 110.944 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.463 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.3 p -113.05 161.91 24.45 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.621 0.724 . . . . 75.530000000000001 111.132 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.463 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.7 Cg_endo -69.76 -3.54 12.21 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.713 2.276 . . . . 74.109999999999999 112.352 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.7 p -122.76 -7.42 8.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 70.310000000000002 111.153 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.3 mmm-85 -146.61 140.26 25.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 72.310000000000002 110.897 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.5 ptp -143.53 171.74 13.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 75.420000000000002 110.868 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.0 mtpp -134.92 140.43 45.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 74.109999999999999 110.871 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.3 p -132.98 147.08 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 65.310000000000002 111.163 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 p -143.0 129.31 19.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 75.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.9 mtmt -135.88 140.75 44.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 74.420000000000002 110.912 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.8 p -163.95 175.03 10.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 71.219999999999999 110.803 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.457 ' HB3' HG11 ' A' ' 24' ' ' VAL . 1.7 m -95.71 125.54 40.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.058 -0.519 . . . . 73.030000000000001 110.86 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 32.6 m -135.4 152.22 76.19 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.623 0.725 . . . . 70.230000000000004 111.077 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -46.4 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.697 2.265 . . . . 73.010000000000005 112.348 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -134.77 120.61 19.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 73.019999999999996 110.845 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 23.0 t -120.13 120.74 37.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 72.099999999999994 110.888 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -97.59 137.92 35.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 75.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -72.99 154.22 40.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 75.200000000000003 110.868 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.5 m -74.36 148.28 41.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 64.329999999999998 111.142 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.9 m -135.96 112.66 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 74.340000000000003 111.133 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -162.15 152.2 16.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 74.049999999999997 110.889 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -165.56 86.73 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 55.140000000000001 110.869 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -163.35 -81.24 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 75.019999999999996 112.475 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -135.55 -54.44 0.78 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.86 0.362 . . . . 65.450000000000003 110.909 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.93 57.04 3.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 72.450000000000003 110.884 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -95.34 -8.77 34.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 75.319999999999993 110.917 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 34.7 p-80 -106.07 33.26 3.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 73.030000000000001 110.862 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.59 -81.06 0.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 71.430000000000007 111.121 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 61.5 m -135.42 134.84 40.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 61.210000000000001 110.869 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 29.9 m -112.15 117.49 32.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 63.240000000000002 111.164 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.2 m -94.83 107.12 19.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 74.219999999999999 111.169 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 60.3 m -97.39 135.33 39.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 73.230000000000004 110.856 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.3 m -127.76 137.07 52.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 61.509999999999998 110.91 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.1 p -150.62 177.25 10.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 75.109999999999999 110.886 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -132.65 12.25 4.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 65.030000000000001 110.898 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.445 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 19.1 t80 -96.51 146.4 24.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 75.310000000000002 110.904 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -58.02 131.28 49.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 74.319999999999993 110.896 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.9 mt 49.74 32.23 5.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 70.129999999999995 110.947 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.445 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 30.5 p -66.34 -26.03 67.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 71.439999999999998 110.863 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 46.2 p-10 -94.5 26.32 3.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 75.519999999999996 110.889 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.75 . . . . 61.439999999999998 112.478 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.3 ptm . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.801 0.334 . . . . 75.439999999999998 110.888 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 54.3 tp -154.2 151.81 29.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 74.25 110.926 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -110.07 130.73 55.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 62.539999999999999 110.884 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 14.3 m -140.12 163.0 33.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 74.310000000000002 110.895 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -83.23 113.91 21.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 72.349999999999994 110.833 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.2 t -109.49 104.03 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 74.409999999999997 111.167 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.1 p -176.68 169.96 2.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 74.030000000000001 110.855 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -143.65 132.29 22.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 52.119999999999997 111.087 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -144.11 152.87 41.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 74.049999999999997 110.905 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -95.62 64.69 2.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.074 -0.512 . . . . 73.430000000000007 110.912 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.81 -130.35 1.11 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 74.030000000000001 112.52 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -74.89 -76.71 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.342 . . . . 74.409999999999997 110.864 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -162.83 122.77 2.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 75.200000000000003 110.884 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.6 p -77.05 164.03 26.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 65.129999999999995 110.896 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -127.49 118.4 23.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 74.209999999999994 110.874 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 -162.61 88.25 1.37 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.577 0.703 . . . . 74.340000000000003 110.913 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 118.1 5.48 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.661 2.241 . . . . 74.319999999999993 112.364 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -131.58 126.97 36.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 65.519999999999996 110.922 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -72.61 123.84 24.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 75.329999999999998 110.846 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.454 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 5.4 m -71.56 157.24 90.26 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.632 0.73 . . . . 75.109999999999999 110.906 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.454 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.3 Cg_endo -69.81 -171.82 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.706 2.271 . . . . 74.519999999999996 112.336 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.57 35.38 0.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 71.099999999999994 111.088 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.5 ptp -136.05 -29.36 1.01 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 73.349999999999994 110.871 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.401 HG11 ' HB3' ' A' ' 45' ' ' CYS . 72.5 t -92.94 146.0 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 63.420000000000002 111.162 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -147.36 42.49 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 65.140000000000001 111.107 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -170.84 154.41 4.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 74.409999999999997 110.916 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.1 m -111.73 137.26 49.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 64.340000000000003 110.878 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.7 ttt -120.87 137.54 54.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 63.109999999999999 110.899 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 47.3 m -141.81 113.26 7.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.27 -0.423 . . . . 74.340000000000003 111.149 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.3 m -102.57 97.55 7.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 72.129999999999995 111.116 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -95.73 96.14 8.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 73.209999999999994 110.879 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 87.0 m -96.02 131.21 42.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 73.129999999999995 111.168 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -135.04 109.87 8.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 73.299999999999997 110.951 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -89.12 -51.33 5.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 74.450000000000003 110.94 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.545 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -135.32 162.98 54.15 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.557 0.694 . . . . 74.510000000000005 111.124 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.545 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.9 Cg_endo -69.74 -1.92 9.27 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.69 2.26 . . . . 74.099999999999994 112.351 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.5 p -122.23 -3.76 8.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.444 . . . . 73.140000000000001 111.149 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.8 mmt-85 -146.97 114.77 6.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 75.319999999999993 110.86 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.67 168.75 19.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 61.520000000000003 110.898 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.51 144.64 21.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.423 . . . . 75.209999999999994 110.9 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.9 p -134.61 151.33 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 73.319999999999993 111.127 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 p -145.8 133.6 21.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 65.319999999999993 110.85 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.2 mttm -135.77 141.61 44.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.129 -0.487 . . . . 74.409999999999997 110.902 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 p -166.43 174.57 8.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 71.209999999999994 110.86 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.401 ' HB3' HG11 ' A' ' 24' ' ' VAL . 17.6 m -93.6 132.7 37.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 54.340000000000003 110.897 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.1 m -146.3 153.49 48.38 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.645 0.736 . . . . 74.319999999999993 111.119 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -45.29 1.63 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.708 2.272 . . . . 65.549999999999997 112.344 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.5 mtp85 -135.04 109.28 8.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 72.109999999999999 110.829 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.3 t -85.25 142.42 29.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 71.230000000000004 110.879 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -103.62 109.22 20.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 74.239999999999995 110.873 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -64.11 170.47 3.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 74.510000000000005 110.947 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.4 t -72.68 110.03 6.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 72.219999999999999 111.122 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 99.5 t -150.81 138.37 13.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 75.120000000000005 111.14 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -144.29 176.04 9.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.47 . . . . 74.549999999999997 110.926 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -147.49 35.93 0.88 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.131 -0.486 . . . . 65.430000000000007 110.861 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -105.45 -80.85 1.4 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.738 . . . . 72.420000000000002 112.485 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -146.2 -75.64 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.88 0.371 . . . . 73.420000000000002 110.924 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.3 t -163.38 115.2 1.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 71.530000000000001 110.864 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.1 91.78 1.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 74.049999999999997 110.911 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 33.1 p80 -104.71 29.96 5.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 74.129999999999995 110.898 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.46 6.83 28.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 64.439999999999998 111.089 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.1 m -156.01 124.01 5.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 75.430000000000007 110.875 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -127.4 137.44 52.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 73.209999999999994 111.144 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.0 m -114.78 123.58 49.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 73.200000000000003 111.123 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.0 m -105.46 124.38 49.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 65.109999999999999 110.867 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 2.1 m -122.37 149.22 44.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 71.030000000000001 110.89 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -165.5 173.26 11.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 73.349999999999994 110.918 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -126.82 13.84 7.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 73.439999999999998 110.918 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.463 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 16.6 t80 -95.9 145.94 24.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 71.319999999999993 110.918 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -55.77 130.52 43.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 54.43 110.879 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.5 mt 48.16 32.91 3.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 71.209999999999994 110.963 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.463 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 31.6 p -66.23 -29.27 69.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 74.150000000000006 110.896 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 47.3 p-10 -92.46 27.47 2.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 75.420000000000002 110.835 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.775 -0.726 . . . . 72.150000000000006 112.486 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 mtt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.843 0.354 . . . . 73.329999999999998 110.876 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 27.9 tp -95.69 149.51 21.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 74.409999999999997 110.91 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.02 130.39 55.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 72.510000000000005 110.865 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.7 m -141.66 164.62 29.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 73.549999999999997 110.83 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -84.4 109.49 17.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 75.439999999999998 110.887 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.8 t -106.78 107.59 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 75.0 111.085 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 24.6 p -176.49 173.93 1.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 71.049999999999997 110.894 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.12 128.29 13.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 75.540000000000006 111.102 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -144.33 147.72 33.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 75.409999999999997 110.898 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.404 ' HA ' ' HA ' ' A' ' 40' ' ' LYS . 1.5 m-80 -94.04 66.09 3.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.519 . . . . 73.439999999999998 110.906 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.61 -136.91 2.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.747 . . . . 64.109999999999999 112.492 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -64.73 -77.23 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.84 0.352 . . . . 74.239999999999995 110.84 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -162.34 124.19 2.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 74.340000000000003 110.929 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.1 p -76.49 157.69 31.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 75.230000000000004 110.915 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -130.34 118.56 21.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 75.140000000000001 110.874 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -162.64 83.89 1.54 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.631 0.729 . . . . 73.519999999999996 110.896 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 113.28 3.33 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.62 2.214 . . . . 73.040000000000006 112.333 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.5 tpt -133.1 139.01 46.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 73.209999999999994 110.908 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.0 tpp180 -73.91 135.18 43.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 74.319999999999993 110.895 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.485 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 4.4 m -77.02 158.03 80.64 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.626 0.727 . . . . 74.219999999999999 110.907 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.485 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.0 Cg_endo -69.75 177.51 5.5 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.634 2.223 . . . . 74.219999999999999 112.38 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.0 51.72 1.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 73.340000000000003 111.084 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 17.0 ptm -157.3 -39.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 74.25 110.889 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.434 HG13 ' HB3' ' A' ' 45' ' ' CYS . 24.4 t -79.62 143.23 12.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 71.439999999999998 111.149 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.23 32.07 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 61.43 111.136 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -160.71 149.07 16.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 75.219999999999999 110.956 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.0 m -104.7 129.68 52.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 65.239999999999995 110.873 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.4 ttp -108.86 136.72 47.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 63.409999999999997 110.884 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 92.2 m -139.04 123.07 17.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 75.400000000000006 111.146 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.2 m -120.98 100.92 7.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 63.210000000000001 111.183 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 -98.51 99.73 10.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 71.409999999999997 110.897 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -92.03 152.83 19.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 71.209999999999994 111.129 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -133.81 107.64 8.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 64.219999999999999 110.918 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -84.98 -65.4 1.01 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 74.510000000000005 110.96 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.545 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -122.52 161.83 41.48 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.593 0.711 . . . . 73.430000000000007 111.153 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.545 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.7 Cg_endo -69.8 -3.24 11.65 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.666 2.244 . . . . 71.120000000000005 112.342 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.05 -7.13 9.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 65.200000000000003 111.155 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.7 mtt180 -146.79 135.21 21.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 74.239999999999995 110.893 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.7 172.74 12.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 73.409999999999997 110.882 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 10' ' ' ASN . 7.8 ttpp -144.6 153.05 41.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 73.420000000000002 110.906 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.0 p -143.05 152.11 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 75.420000000000002 111.098 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.3 p -147.99 127.82 13.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 64.519999999999996 110.882 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -134.19 146.0 49.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.478 . . . . 73.010000000000005 110.894 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.3 p -165.76 169.75 14.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 72.099999999999994 110.8 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.434 ' HB3' HG13 ' A' ' 24' ' ' VAL . 2.1 m -93.3 122.33 35.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 73.209999999999994 110.909 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.2 m -131.94 152.3 80.01 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.604 0.716 . . . . 73.219999999999999 111.178 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -41.63 4.15 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.673 2.248 . . . . 64.230000000000004 112.319 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.1 mtp-105 -134.24 124.66 26.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 75.349999999999994 110.899 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 53.3 t -130.86 144.5 51.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 71.140000000000001 110.92 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -137.79 156.43 47.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 75.409999999999997 110.888 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -64.82 155.73 33.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 75.430000000000007 110.866 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.67 119.02 18.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 75.140000000000001 111.121 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 62.6 t -105.1 144.81 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 64.310000000000002 111.123 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -160.09 176.0 12.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 73.049999999999997 110.935 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -155.68 70.2 0.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 75.230000000000004 110.849 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.17 60.82 1.98 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.728 -0.748 . . . . 65.299999999999997 112.464 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -150.37 -40.81 0.13 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.945 0.402 . . . . 74.530000000000001 110.946 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -157.76 101.1 1.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 63.009999999999998 110.828 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -75.52 -81.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 75.329999999999998 110.88 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -100.91 29.06 4.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 74.540000000000006 110.843 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.79 -34.03 19.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 72.150000000000006 111.131 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 89.9 p -155.94 130.78 9.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 71.230000000000004 110.845 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.63 118.18 15.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.498 . . . . 71.329999999999998 111.133 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.3 m -103.89 137.84 41.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 75.310000000000002 111.141 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.1 t -124.64 154.73 40.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 64.450000000000003 110.839 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 6.1 m -137.17 147.15 45.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 74.209999999999994 110.883 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.4 p -156.06 171.8 19.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 74.109999999999999 110.904 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -128.75 13.44 6.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 64.439999999999998 110.928 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.417 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 19.7 t80 -96.25 146.37 24.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 73.140000000000001 110.92 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -56.2 130.85 46.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 75.430000000000007 110.912 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 30.8 mt 48.35 34.11 4.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 75.299999999999997 110.912 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.417 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 28.7 p -65.51 -29.76 70.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 52.509999999999998 110.887 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 51.1 p-10 -93.48 25.46 3.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 65.129999999999995 110.911 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 72.340000000000003 112.48 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.851 0.358 . . . . 73.129999999999995 110.858 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 30.6 tp -93.35 149.73 21.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 74.25 110.909 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -107.69 131.2 54.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 62.130000000000003 110.901 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.6 m -145.71 157.92 43.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 72.349999999999994 110.925 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -82.98 104.33 13.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 72.420000000000002 110.845 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 51.1 t -99.49 106.67 19.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 75.230000000000004 111.128 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.9 p -174.9 164.88 3.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 73.230000000000004 110.91 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -141.62 128.01 19.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 62.509999999999998 111.093 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -144.79 146.97 32.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 75.0 110.922 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -87.63 65.3 8.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 74.030000000000001 110.896 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.39 -143.91 3.85 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 75.409999999999997 112.479 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -60.96 -76.4 0.05 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.817 0.341 . . . . 72.019999999999996 110.848 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -167.69 118.6 0.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 74.230000000000004 110.848 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.7 p -76.68 150.68 36.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 74.420000000000002 110.9 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -114.36 120.72 41.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 73.430000000000007 110.87 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -163.03 86.01 1.37 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.59 0.71 . . . . 74.310000000000002 110.896 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 115.2 3.98 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.739 2.293 . . . . 73.510000000000005 112.358 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.2 ttm -126.43 141.17 51.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 75.219999999999999 110.903 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -75.89 127.94 34.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 74.319999999999993 110.881 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.446 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 20.2 m -78.16 155.92 79.44 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.616 0.722 . . . . 73.420000000000002 110.854 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.446 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.6 Cg_endo -69.81 -169.43 0.33 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.693 2.262 . . . . 71.420000000000002 112.312 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.68 27.41 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 62.399999999999999 111.104 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -130.13 -21.6 2.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 75.239999999999995 110.93 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.477 HG11 ' HB3' ' A' ' 45' ' ' CYS . 14.8 t -95.32 140.9 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 74.420000000000002 111.139 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -138.9 9.4 2.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 74.239999999999995 111.1 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -147.04 155.07 41.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.262 -0.426 . . . . 73.340000000000003 110.93 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.8 m -104.91 142.29 35.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 60.030000000000001 110.906 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 21.8 ttm -117.09 142.38 47.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 74.319999999999993 110.859 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 87.8 m -145.6 104.34 3.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 74.530000000000001 111.132 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.0 m -101.9 99.43 9.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 72.019999999999996 111.129 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -97.94 101.16 12.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 74.109999999999999 110.9 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.7 m -88.71 156.32 19.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 74.329999999999998 111.14 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -133.86 102.62 5.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 74.450000000000003 110.923 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -84.83 -66.4 0.9 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 71.420000000000002 110.93 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.511 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -117.9 161.05 36.29 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.579 0.704 . . . . 75.230000000000004 111.104 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.511 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.5 Cg_endo -69.74 -4.98 15.1 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.716 2.277 . . . . 73.019999999999996 112.342 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.4 p -122.94 -4.1 8.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 73.519999999999996 111.135 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -145.11 133.44 21.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 75.319999999999993 110.887 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 8.8 ptm -138.85 176.09 9.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 72.239999999999995 110.863 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -145.32 151.24 38.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 74.329999999999998 110.874 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.8 p -136.83 153.05 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 75.200000000000003 111.136 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.39 112.86 4.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 75.540000000000006 110.876 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.0 mttm -121.54 147.52 45.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 75.340000000000003 110.879 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 62.1 p -164.95 178.88 6.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 73.540000000000006 110.862 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.477 ' HB3' HG11 ' A' ' 24' ' ' VAL . 21.4 m -99.28 133.07 44.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 74.310000000000002 110.9 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.9 m -148.49 152.14 37.78 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.64 0.733 . . . . 75.030000000000001 111.149 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -47.29 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.645 2.23 . . . . 75.239999999999995 112.373 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 31.8 mtm180 -134.44 119.49 18.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 74.120000000000005 110.881 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 15.8 t -118.86 137.89 53.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 75.430000000000007 110.877 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -120.94 148.8 43.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 74.540000000000006 110.846 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.65 158.54 24.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 73.209999999999994 110.902 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.93 124.7 27.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 64.040000000000006 111.175 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.2 p -102.92 144.82 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 74.430000000000007 111.124 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -160.1 159.33 31.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 73.450000000000003 110.924 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -165.21 81.78 0.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 72.120000000000005 110.867 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -164.02 -87.56 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.728 -0.748 . . . . 74.209999999999994 112.458 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -134.71 -75.97 0.46 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.924 0.392 . . . . 75.409999999999997 110.871 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.5 m -74.82 94.07 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 65.420000000000002 110.859 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -95.28 -8.92 34.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.497 . . . . 75.349999999999994 110.899 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 25.2 p-80 -107.14 29.01 7.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 64.450000000000003 110.884 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.35 -23.76 24.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 74.450000000000003 111.072 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.5 p -156.26 133.96 11.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 72.319999999999993 110.866 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.2 m -131.39 104.48 7.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 75.510000000000005 111.136 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 80.6 m -94.15 109.75 21.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 71.409999999999997 111.163 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.9 t -95.96 146.07 24.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 63.439999999999998 110.84 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.2 m -135.37 141.29 45.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.509 . . . . 72.409999999999997 110.875 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -149.0 179.68 7.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 71.510000000000005 110.902 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -134.37 8.81 3.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 72.310000000000002 110.923 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -96.09 147.24 23.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 74.219999999999999 110.891 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -59.3 133.52 56.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 74.530000000000001 110.844 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 29.0 mt 49.14 32.58 4.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 75.129999999999995 110.868 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.7 p -65.59 -29.78 70.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 73.109999999999999 110.912 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.5 p-10 -93.96 25.56 3.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 74.010000000000005 110.866 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.725 -0.75 . . . . 51.049999999999997 112.467 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.4 tp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.818 0.342 . . . . 64.44 110.929 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.12 129.81 56.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 54.32 110.901 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 15.8 m -138.15 165.49 26.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 63.34 110.909 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -84.02 111.71 19.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 74.05 110.843 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.499 HG22 ' HA ' ' A' ' 44' ' ' SER . 69.8 t -108.61 105.57 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 70.43 111.119 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.6 p -175.29 178.51 1.67 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 63.43 110.898 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -151.95 133.88 14.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 63.11 111.087 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -146.95 153.29 39.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 73.34 110.938 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -95.06 63.38 2.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 73.23 110.864 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.95 -136.15 1.94 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 71.44 112.467 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -65.88 -76.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 75.31 110.866 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.733 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -166.78 124.3 1.31 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 74.24 110.937 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.0 p -75.83 167.67 21.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 74.32 110.87 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -132.26 118.36 19.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 65.14 110.907 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -160.85 83.14 2.0 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.605 0.717 . . . . 64.13 110.876 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 117.72 5.26 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.685 2.257 . . . . 64.33 112.345 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.9 tpp -139.04 134.35 32.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 64.42 110.917 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 -70.59 134.08 47.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 71.15 110.845 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.487 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 4.6 m -76.05 157.27 83.54 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.65 0.738 . . . . 72.32 110.85 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.487 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.0 Cg_endo -69.75 177.46 5.55 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.674 2.249 . . . . 70.54 112.336 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.47 54.37 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 44.03 111.138 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.5 ptm -157.88 -38.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 74.35 110.93 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.653 HG11 ' HB3' ' A' ' 45' ' ' CYS . 37.8 t -84.29 147.24 5.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 73.41 111.155 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -147.8 30.18 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 44.13 111.113 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -158.71 150.2 20.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 74.02 110.896 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.5 m -104.64 136.52 44.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.509 . . . . 70.55 110.878 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 12.0 ttt -117.25 142.05 47.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 61.21 110.904 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 94.8 m -145.7 110.99 5.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 60.31 111.133 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.3 m -106.26 102.66 12.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 74.53 111.181 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -97.3 103.79 15.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 61.51 110.891 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.586 HG23 ' OG ' ' A' ' 62' ' ' SER . 1.3 m -92.39 160.8 14.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 73.53 111.188 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -138.78 105.27 5.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 72.2 110.956 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -86.55 -65.14 1.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 72.42 110.961 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.563 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -124.19 161.98 44.35 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.58 0.705 . . . . 63.41 111.119 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.563 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.1 Cg_endo -69.8 -3.34 11.83 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.672 2.248 . . . . 44.25 112.319 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 66.5 p -119.61 -7.46 10.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 75.42 111.157 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 50.5 mtm180 -146.89 134.1 20.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 73.51 110.846 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -134.26 170.43 15.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 74.13 110.869 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -137.84 144.3 41.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 61.45 110.896 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.733 HG11 ' HA ' ' A' ' 13' ' ' ASN . 12.9 p -139.06 150.48 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 62.22 111.144 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.44 130.68 16.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 75.13 110.896 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.3 mttm -135.14 144.4 47.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 74.23 110.874 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.499 ' HA ' HG22 ' A' ' 6' ' ' VAL . 5.1 p -165.39 178.55 6.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 64.52 110.877 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.653 ' HB3' HG11 ' A' ' 24' ' ' VAL . 3.8 m -100.64 122.67 43.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 55.42 110.872 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.479 ' O ' HG13 ' A' ' 24' ' ' VAL . 33.3 m -136.12 152.91 76.27 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.616 0.722 . . . . 74.31 111.13 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -44.66 1.95 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.727 2.285 . . . . 71.33 112.305 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -133.96 126.21 29.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 74.51 110.838 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.9 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 73.05 110.859 -179.957 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.586 ' OG ' HG23 ' A' ' 32' ' ' THR . 23.4 m . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.936 0.398 . . . . 64.2 110.909 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.1 p -143.97 114.27 7.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 51.02 111.116 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 28.7 m -94.73 126.31 39.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 72.15 111.13 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.1 m -109.21 149.11 29.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.452 . . . . 71.01 110.846 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 2.8 m -136.07 144.25 45.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 70.4 110.873 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.3 p -156.61 170.39 22.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 74.45 110.864 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -127.35 12.83 7.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 74.45 110.888 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.415 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 16.6 t80 -96.08 145.01 25.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 71.24 110.914 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -56.19 130.35 43.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 70.34 110.861 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.8 mt 50.02 33.62 7.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 74.11 110.936 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.415 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 28.0 p -65.61 -29.63 70.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 72.3 110.861 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 50.5 p-10 -93.58 25.8 3.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 74.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 71.03 112.493 180.0 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 25.5 tp . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.829 0.347 . . . . 65.33 110.928 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.37 139.96 53.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 74.42 110.882 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m -155.19 172.46 18.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 72.31 110.819 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -84.01 112.12 19.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 65.42 110.846 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.479 HG13 ' HA ' ' A' ' 44' ' ' SER . 97.4 t -109.86 105.84 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 63.33 111.126 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.6 p -176.32 -177.75 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 45.4 110.921 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -153.95 132.14 11.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 75.22 111.075 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -145.13 150.89 37.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 65.11 110.937 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -91.19 64.21 5.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 72.32 110.884 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.74 -134.74 1.69 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.733 -0.746 . . . . 70.45 112.5 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -70.07 -75.5 0.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.799 0.333 . . . . 72.53 110.901 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.771 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -165.23 122.51 1.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 72.11 110.861 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.6 p -76.6 153.61 35.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 73.32 110.936 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -119.29 117.51 28.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 72.42 110.883 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -161.33 85.64 1.72 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.671 0.748 . . . . 70.15 110.9 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 124.97 11.6 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.615 2.21 . . . . 73.44 112.362 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -145.42 137.41 25.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 63.02 110.815 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -75.37 132.22 40.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 72.01 110.884 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.474 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 6.6 m -75.01 156.45 86.09 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.736 . . . . 64.23 110.874 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.474 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.7 Cg_endo -69.75 -175.28 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.621 2.214 . . . . 61.44 112.349 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.52 50.22 1.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 53.44 111.134 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.0 ptt? -152.25 -36.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 74.44 110.882 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.575 HG11 ' HB3' ' A' ' 45' ' ' CYS . 41.3 t -80.87 148.21 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 70.55 111.102 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -146.36 20.46 1.37 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 71.55 111.106 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -157.67 147.26 20.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 74.11 110.926 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 5.4 m -104.29 125.62 50.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 74.11 110.884 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 13.5 ttm -101.47 139.67 36.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 73.15 110.871 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 97.7 m -140.23 113.01 8.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 72.53 111.114 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.436 HG23 ' OG1' ' A' ' 64' ' ' THR . 1.0 OUTLIER -112.63 99.58 8.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 61.03 111.134 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -96.08 96.93 9.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 73.22 110.855 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.1 m -92.16 142.58 27.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 42.11 111.169 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -145.69 127.84 15.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 73.24 110.936 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -106.45 -41.21 5.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 64.04 110.925 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.564 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -133.23 161.63 62.61 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.518 0.675 . . . . 71.22 111.189 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.564 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.6 Cg_endo -69.75 -4.53 14.21 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.704 2.27 . . . . 63.44 112.302 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.0 p -124.91 -2.81 7.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 64.31 111.137 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -140.77 114.31 8.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 74.14 110.874 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.99 172.67 12.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 73.14 110.929 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -150.64 148.13 28.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 74.33 110.922 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.771 HG11 ' HA ' ' A' ' 13' ' ' ASN . 10.7 p -131.9 154.27 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 74.14 111.178 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.2 p -147.88 127.34 13.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 73.2 110.882 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.441 ' HE2' HG21 ' A' ' 41' ' ' VAL . 25.5 mttm -134.73 138.93 44.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 73.24 110.885 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.479 ' HA ' HG13 ' A' ' 6' ' ' VAL . 53.2 p -158.39 173.33 16.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 23.3 110.858 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.575 ' HB3' HG11 ' A' ' 24' ' ' VAL . 1.7 m -103.37 121.48 42.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 71.13 110.881 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.43 ' O ' HG13 ' A' ' 24' ' ' VAL . 32.8 m -140.6 151.8 64.46 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.666 0.746 . . . . 62.42 111.131 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -47.13 0.99 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.683 2.255 . . . . 74.44 112.319 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 -106.22 141.54 37.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.422 . . . . 71.4 110.867 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 18.6 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 61.44 110.857 -179.924 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.992 0.425 . . . . 64.25 110.855 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -116.23 99.39 7.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 71.53 111.156 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.436 ' OG1' HG23 ' A' ' 30' ' ' THR . 4.1 m -98.21 121.47 40.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 73.42 111.152 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.6 m -135.78 143.98 45.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 52.11 110.892 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 27' ' ' CYS . 8.0 m -120.89 172.51 7.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 74.41 110.858 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -164.11 179.48 6.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 71.3 110.897 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -133.32 10.86 4.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 52.23 110.891 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.407 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 24.3 t80 -96.53 147.18 24.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 74.33 110.931 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -57.98 132.42 53.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.12 -0.491 . . . . 61.24 110.863 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.0 mt 48.81 32.97 3.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 75.02 110.918 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.407 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 29.4 p -66.29 -28.22 68.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 70.34 110.863 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 51.9 p-10 -93.74 26.67 3.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 52.52 110.901 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.779 -0.724 . . . . 72.42 112.479 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 21.0 tp . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.821 0.343 . . . . 64.41 110.929 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -119.86 130.67 54.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 72.43 110.92 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.4 m -139.44 167.43 22.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 74.31 110.842 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -84.05 112.5 20.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 73.31 110.87 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.477 HG22 ' HA ' ' A' ' 44' ' ' SER . 93.8 t -109.53 105.05 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 62.32 111.13 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.1 p -176.78 163.49 2.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 54.42 110.914 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -136.0 130.4 33.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 62.0 111.092 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -144.75 148.37 34.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 65.54 110.907 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.401 ' HA ' ' HA ' ' A' ' 40' ' ' LYS . 5.2 m-20 -95.44 63.66 2.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 73.25 110.889 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.52 -139.53 2.66 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 25.34 112.481 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -61.57 -77.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 73.11 110.867 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.811 ' HA ' HG11 ' A' ' 41' ' ' VAL . 5.4 m-80 -166.01 125.15 1.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 72.11 110.913 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.9 p -77.33 166.84 22.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 32.21 110.88 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -136.29 117.46 14.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 71.44 110.869 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -160.94 83.42 1.95 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.615 0.721 . . . . 73.35 110.886 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 113.47 3.38 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.682 2.254 . . . . 72.33 112.375 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 35.0 tpp -135.14 134.49 40.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 75.22 110.868 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 -71.46 134.86 46.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 75.45 110.886 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.531 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 4.6 m -76.86 158.45 80.46 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.639 0.733 . . . . 74.52 110.869 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.531 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.4 Cg_endo -69.74 177.46 5.54 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.684 2.256 . . . . 41.42 112.365 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.05 53.62 1.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 75.21 111.138 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.431 ' HG2' ' HG2' ' A' ' 21' ' ' PRO . 9.5 ptp -157.74 -35.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 73.23 110.938 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.722 HG11 ' HB3' ' A' ' 45' ' ' CYS . 39.3 t -87.92 142.52 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 50.41 111.091 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -144.23 33.61 1.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 75.24 111.12 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -160.28 147.33 15.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 73.23 110.883 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.5 m -104.09 136.1 44.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 71.55 110.869 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.7 ttt -114.8 143.74 44.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 72.24 110.836 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 99.3 m -145.34 108.44 4.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 71.14 111.101 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.6 m -105.09 99.06 8.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 64.5 111.136 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -98.14 104.43 16.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 72.33 110.921 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.589 HG23 ' OG ' ' A' ' 62' ' ' SER . 24.4 m -92.75 153.48 18.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 74.31 111.143 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -133.15 101.37 5.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 73.21 110.919 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -84.25 -68.84 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 75.34 110.953 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.533 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -115.12 160.68 33.0 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.55 0.691 . . . . 63.4 111.153 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.533 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.7 Cg_endo -69.82 -4.56 14.32 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.666 2.244 . . . . 73.01 112.392 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 69.2 p -124.07 -3.67 8.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 62.13 111.162 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.4 mtp85 -145.18 128.12 16.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 74.12 110.901 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 6.4 ptp -139.54 170.08 16.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 63.1 110.872 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 10' ' ' ASN . 21.2 ttpp -140.18 155.97 46.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 64.04 110.896 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.811 HG11 ' HA ' ' A' ' 13' ' ' ASN . 12.6 p -144.98 149.39 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 42.43 111.099 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 p -144.22 127.58 16.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 72.44 110.864 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -130.32 145.82 51.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 61.23 110.874 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.477 ' HA ' HG22 ' A' ' 6' ' ' VAL . 75.9 p -166.13 174.21 9.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 74.21 110.865 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.722 ' HB3' HG11 ' A' ' 24' ' ' VAL . 7.4 m -96.99 122.0 39.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 73.14 110.865 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.537 ' O ' HG13 ' A' ' 24' ' ' VAL . 33.8 m -131.89 152.85 81.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.654 0.74 . . . . 63.41 111.137 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -47.13 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.66 2.24 . . . . 71.11 112.349 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 46.7 mmt-85 -134.23 119.68 19.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 75.53 110.922 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 32.7 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 72.33 110.906 -179.971 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.589 ' OG ' HG23 ' A' ' 32' ' ' THR . 26.0 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.968 0.413 . . . . 70.21 110.822 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.4 118.94 21.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 64.02 111.13 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.3 m -94.89 111.21 23.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 75.12 111.148 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.7 m -96.91 137.39 36.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 71.25 110.813 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.6 m -128.16 139.83 52.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 75.1 110.878 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.4 p -154.98 169.83 23.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 60.32 110.89 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -127.18 13.14 7.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 72.41 110.951 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.425 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 17.2 t80 -95.92 145.7 25.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 74.45 110.924 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -56.57 130.92 47.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 74.22 110.902 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 31.5 mt 49.06 33.53 4.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 75.53 110.866 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.425 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 28.8 p -65.38 -28.73 69.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 63.35 110.906 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 51.0 p-10 -93.79 25.66 3.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 73.11 110.857 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.692 -0.766 . . . . 72.31 112.495 179.975 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.6 tp . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.825 0.345 . . . . 62.51 110.921 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.64 137.63 54.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 63.13 110.835 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 29.7 m -143.13 161.51 38.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 72.12 110.869 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -84.29 111.49 19.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 75.5 110.868 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.509 HG22 ' HA ' ' A' ' 44' ' ' SER . 21.7 t -108.21 110.17 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 72.32 111.126 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.7 p -178.64 -176.92 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 54.15 110.894 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -153.61 132.47 12.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 63.42 111.126 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -144.41 153.9 42.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 74.33 110.88 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.409 ' HA ' ' HA ' ' A' ' 40' ' ' LYS . 6.9 m-20 -95.5 75.73 3.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 72.41 110.908 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 178.43 -139.71 4.22 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 54.2 112.469 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -57.78 -76.67 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.851 0.358 . . . . 71.12 110.895 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.703 ' OD1' HG21 ' A' ' 41' ' ' VAL . 13.3 m-80 -166.96 132.94 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 74.42 110.914 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.9 p -76.46 171.2 15.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 74.11 110.9 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -138.32 114.11 9.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 73.24 110.931 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -161.62 80.62 2.0 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.582 0.706 . . . . 54.22 110.872 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.503 ' HB3' HD22 ' A' ' 71' ' ' LEU . 54.1 Cg_endo -69.69 115.6 4.16 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.69 2.26 . . . . 70.11 112.364 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 47.6 mmm -129.04 144.43 51.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 74.02 110.897 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -75.59 127.7 33.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 72.41 110.868 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.478 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 17.0 m -76.43 156.28 83.43 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.586 0.707 . . . . 72.31 110.902 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.478 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.6 Cg_endo -69.73 -173.42 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.649 2.232 . . . . 72.43 112.411 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.0 52.97 2.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 55.5 111.094 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.6 ptm -156.66 -36.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 64.44 110.881 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.626 HG11 ' HB3' ' A' ' 45' ' ' CYS . 9.4 t -79.91 139.32 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 64.11 111.136 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.31 7.81 2.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 73.42 111.097 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -145.31 154.3 42.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.231 -0.44 . . . . 73.1 110.934 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.7 m -103.95 141.44 36.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 62.53 110.879 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.2 ttt -116.26 138.34 51.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 64.01 110.834 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 67.8 m -142.71 110.34 5.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 51.02 111.134 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 54.2 m -106.94 99.95 9.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 43.15 111.129 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -98.1 99.44 10.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 71.41 110.891 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 48.0 m -94.35 150.86 19.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 75.34 111.143 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -134.81 106.2 6.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 75.53 110.919 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -84.66 -63.2 1.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 73.44 110.892 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.511 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -115.97 160.21 36.23 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.615 0.721 . . . . 72.24 111.137 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.511 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.5 Cg_endo -69.82 -3.49 12.15 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.622 2.215 . . . . 64.14 112.329 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.7 p -126.28 -1.82 6.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 72.1 111.133 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.9 mtp-105 -146.44 133.47 20.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 71.15 110.855 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 7.9 ptp -146.5 178.08 8.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 74.1 110.895 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 10' ' ' ASN . 0.2 OUTLIER -152.68 136.54 16.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 71.35 110.902 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.703 HG21 ' OD1' ' A' ' 13' ' ' ASN . 12.6 p -126.88 146.15 33.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 75.12 111.099 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 p -139.11 133.57 31.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 75.03 110.869 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -136.25 147.03 47.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 44.33 110.896 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.509 ' HA ' HG22 ' A' ' 6' ' ' VAL . 27.1 p -165.99 175.63 8.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 71.31 110.822 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.626 ' HB3' HG11 ' A' ' 24' ' ' VAL . 11.0 m -93.9 136.95 33.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.071 -0.513 . . . . 34.43 110.91 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.533 ' O ' HG13 ' A' ' 24' ' ' VAL . 34.3 m -150.11 152.26 33.44 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.718 . . . . 73.51 111.153 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -48.07 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 54.54 112.338 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 27.9 mtp180 -134.75 121.92 21.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 71.31 110.933 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 29.7 t . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 63.2 110.885 -179.943 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.3 p . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.906 0.384 . . . . 72.44 110.869 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.82 107.82 9.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 55.1 111.118 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 98.3 m -95.29 118.54 32.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 62.31 111.173 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.4 p -106.4 148.89 27.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 41.01 110.847 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.9 m -137.6 144.72 42.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 74.04 110.912 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -148.78 177.0 9.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 51.44 110.862 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -130.18 8.26 5.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 71.33 110.927 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -95.8 147.3 23.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 64.12 110.912 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -61.14 134.54 57.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 70.04 110.823 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.503 HD22 ' HB3' ' A' ' 17' ' ' PRO . 15.7 mt 49.99 31.09 4.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 63.23 110.9 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.3 p -65.33 -30.43 71.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 64.5 110.842 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 51.1 p-10 -94.69 25.6 3.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 54.42 110.902 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 54.3 112.491 179.97 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.5 tp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.855 0.36 . . . . 74.45 110.895 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -122.61 135.17 54.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 71.11 110.867 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.5 m -139.93 165.31 27.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 44.22 110.837 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -82.99 113.87 20.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 71.31 110.836 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.461 HG22 ' HA ' ' A' ' 44' ' ' SER . 77.1 t -109.15 103.76 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 75.12 111.126 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.6 p -176.05 166.21 2.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 55.31 110.856 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -141.9 131.01 23.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 70.13 111.115 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -144.75 149.94 36.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 73.0 110.949 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -92.0 64.08 4.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 74.25 110.865 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.03 -135.29 1.79 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 63.02 112.46 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -67.22 -78.52 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.824 0.345 . . . . 53.24 110.87 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.801 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.4 OUTLIER -168.08 120.74 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 71.13 110.892 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.1 p -77.23 160.18 29.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 74.43 110.847 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -122.26 121.5 36.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 62.51 110.879 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -162.77 87.82 1.35 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.564 0.697 . . . . 64.04 110.874 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 121.23 7.92 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.654 2.236 . . . . 60.21 112.309 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -132.8 132.64 42.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 73.22 110.863 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -74.59 122.24 22.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 73.21 110.886 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.445 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 4.7 m -72.64 156.28 90.23 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.66 0.743 . . . . 74.25 110.889 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.445 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.1 Cg_endo -69.71 -167.81 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.702 2.268 . . . . 43.42 112.343 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.16 39.91 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 75.2 111.096 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 17.3 ptm -141.28 -31.18 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 61.11 110.895 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.593 HG11 ' HB3' ' A' ' 45' ' ' CYS . 6.1 t -88.81 139.6 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 71.52 111.096 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -138.98 10.83 2.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 65.45 111.113 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -145.16 151.32 38.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 72.21 110.917 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.2 m -104.35 139.72 38.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 72.13 110.905 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.8 ttp -115.29 140.01 49.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 64.22 110.886 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 85.8 m -144.26 110.21 5.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 72.21 111.168 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.2 m -108.4 100.99 10.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 64.01 111.11 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -97.26 97.57 9.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 74.45 110.869 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.0 m -81.34 159.18 24.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 42.25 111.146 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -133.85 105.73 6.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 62.54 110.907 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -91.65 -75.1 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 74.54 110.96 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.527 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -111.09 160.63 28.29 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.633 0.73 . . . . 74.15 111.13 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.527 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.6 Cg_endo -69.78 -4.56 14.28 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.69 2.26 . . . . 52.34 112.345 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.1 p -123.52 -4.69 8.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 73.33 111.19 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.4 mmt-85 -145.84 123.58 11.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 75.24 110.85 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 4.3 ptp -126.73 174.06 9.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 60.01 110.916 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -137.66 147.96 45.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 61.41 110.906 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.801 HG11 ' HA ' ' A' ' 13' ' ' ASN . 9.3 p -140.57 147.43 23.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 65.43 111.17 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -145.33 130.05 18.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 73.14 110.88 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -135.07 145.32 47.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 62.04 110.862 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.461 ' HA ' HG22 ' A' ' 6' ' ' VAL . 2.4 p -165.24 177.6 7.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 64.24 110.83 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.593 ' HB3' HG11 ' A' ' 24' ' ' VAL . 4.0 m -99.94 135.62 41.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 53.34 110.902 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.509 ' O ' HG13 ' A' ' 24' ' ' VAL . 34.2 m -150.05 152.0 33.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.604 0.716 . . . . 72.42 111.154 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.403 ' HB2' ' HD2' ' A' ' 48' ' ' ARG . 53.4 Cg_endo -69.84 -46.19 1.28 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.65 2.233 . . . . 75.23 112.34 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.403 ' HD2' ' HB2' ' A' ' 47' ' ' PRO . 0.3 OUTLIER -133.7 127.69 33.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.888 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.4 t . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 74.3 110.888 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.87 0.366 . . . . 74.24 110.897 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.2 m -107.63 109.8 21.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 73.33 111.141 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.4 m -94.76 106.53 18.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 55.02 111.158 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.95 140.75 31.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 75.14 110.834 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.0 m -130.61 139.77 50.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 70.11 110.866 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -147.24 178.1 8.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 72.54 110.887 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -131.58 7.82 4.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 72.42 110.905 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -96.1 147.79 23.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 64.42 110.943 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -61.45 134.9 57.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 71.51 110.899 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 37.2 mt 50.05 30.59 4.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 70.25 110.897 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.2 p -65.4 -27.7 68.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 64.13 110.881 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 49.7 p-10 -93.15 26.05 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 72.4 110.924 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 71.01 112.513 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 15.1 tp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.81 0.338 . . . . 63.14 110.893 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -118.5 132.58 56.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.469 . . . . 64.33 110.892 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 15.0 m -138.44 164.55 29.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 63.42 110.892 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -83.89 112.42 20.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 75.52 110.876 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.504 HG22 ' HA ' ' A' ' 44' ' ' SER . 73.6 t -110.46 106.97 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 74.33 111.142 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.0 p -175.92 -177.82 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 61.44 110.852 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -155.19 134.55 12.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 64.13 111.075 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.441 ' O ' HG12 ' A' ' 41' ' ' VAL . 66.5 t80 -149.45 151.04 33.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 75.12 110.948 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -93.05 66.07 4.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 73.01 110.927 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.75 -138.89 2.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 72.34 112.537 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -64.03 -74.32 0.1 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.823 0.344 . . . . 72.24 110.89 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.7 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -166.61 125.69 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 74.42 110.85 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.0 p -75.94 165.84 24.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.919 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -133.31 117.78 17.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 65.52 110.902 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -160.85 83.93 1.94 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.597 0.713 . . . . 73.35 110.889 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 116.0 4.36 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.668 2.245 . . . . 72.22 112.331 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 32.0 tpp -134.31 134.19 41.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 74.42 110.89 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 -71.44 130.02 40.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.833 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.501 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 4.9 m -76.19 157.81 82.64 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.626 0.726 . . . . 63.11 110.879 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.501 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.7 Cg_endo -69.83 -169.61 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.247 . . . . 71.53 112.288 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.14 41.64 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 70.44 111.099 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.4 ptp -143.84 -28.07 0.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 54.21 110.892 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.637 HG11 ' HB3' ' A' ' 45' ' ' CYS . 5.8 t -94.39 138.15 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 71.42 111.103 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.55 6.34 3.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 53.15 111.089 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -139.99 154.51 47.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 70.34 110.908 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.4 m -104.54 137.07 42.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 61.53 110.819 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.2 ttm -113.14 139.67 48.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 72.51 110.864 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.474 ' O ' HG23 ' A' ' 64' ' ' THR . 85.7 m -141.94 129.64 21.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 74.11 111.138 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.6 m -126.09 99.4 5.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 63.11 111.169 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -97.69 100.23 11.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 65.32 110.859 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.404 HG21 ' CZ ' ' A' ' 34' ' ' TYR . 99.3 m -95.95 143.96 26.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 71.02 111.154 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -139.24 122.4 16.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 64.12 110.923 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.404 ' CZ ' HG21 ' A' ' 32' ' ' THR . 45.4 m-85 -105.02 -49.66 3.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 74.43 110.896 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.522 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -129.96 160.98 62.48 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.556 0.693 . . . . 74.25 111.169 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.522 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 54.0 Cg_endo -69.71 -5.39 16.06 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.672 2.248 . . . . 72.25 112.354 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.3 p -123.83 -1.7 8.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 74.34 111.135 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -143.98 115.53 8.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 73.01 110.856 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.4 ptp -132.78 167.65 19.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 63.52 110.91 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -142.78 138.89 30.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 71.24 110.894 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.7 HG11 ' HA ' ' A' ' 13' ' ' ASN . 7.3 p -133.58 151.3 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 73.5 111.169 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 p -152.67 132.12 12.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 73.13 110.879 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -135.45 149.28 49.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 62.45 110.878 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.504 ' HA ' HG22 ' A' ' 6' ' ' VAL . 86.1 p -165.62 175.71 8.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 74.22 110.892 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.637 ' HB3' HG11 ' A' ' 24' ' ' VAL . 1.8 m -98.66 137.67 36.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 62.31 110.858 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.558 ' O ' HG13 ' A' ' 24' ' ' VAL . 35.2 m -146.91 152.61 44.46 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.659 0.742 . . . . 74.05 111.108 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -42.86 3.02 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.696 2.264 . . . . 62.23 112.326 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -133.64 130.65 38.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 73.54 110.838 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 27.4 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 62.15 110.85 -179.957 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.957 0.408 . . . . 54.33 110.847 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.47 133.23 54.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 61.43 111.163 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.474 HG23 ' O ' ' A' ' 29' ' ' THR . 23.3 m -112.34 134.83 53.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.438 . . . . 72.1 111.1 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.3 m -124.39 138.28 54.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.85 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.2 m -127.35 159.09 35.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 72.24 110.841 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -163.13 179.81 7.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 64.25 110.845 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -133.77 10.36 3.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 71.34 110.949 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -96.81 146.86 24.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 64.25 110.937 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -57.71 131.83 51.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 71.5 110.898 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 29.7 mt 49.82 32.86 5.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 70.42 110.898 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.1 p -65.66 -29.95 70.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 72.42 110.922 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 50.9 p-10 -93.06 25.67 3.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 71.24 110.941 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.738 . . . . 61.02 112.494 179.973 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 53.0 tp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.805 0.336 . . . . 64.31 110.909 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -110.72 134.97 52.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 72.24 110.866 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m -156.25 171.89 19.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 75.14 110.861 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -83.7 109.59 17.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 63.5 110.885 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.411 HG22 ' HA ' ' A' ' 44' ' ' SER . 84.8 t -108.87 103.22 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 60.12 111.101 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.6 p -170.41 -178.13 2.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 64.33 110.873 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -153.13 134.25 14.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 74.2 111.084 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -148.27 150.93 34.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 71.04 110.925 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -95.81 63.79 2.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 73.02 110.853 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.81 -134.76 1.7 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 71.15 112.482 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -66.32 -79.5 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.828 0.346 . . . . 62.23 110.921 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.707 ' HA ' HG11 ' A' ' 41' ' ' VAL . 41.8 m-80 -160.29 125.12 3.83 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.172 -0.467 . . . . 73.14 110.868 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.9 p -77.1 159.21 29.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 62.44 110.863 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -130.7 118.01 20.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 74.12 110.896 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -163.31 85.22 1.35 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.638 0.732 . . . . 75.51 110.902 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 113.89 3.51 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.713 2.275 . . . . 64.41 112.376 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -136.9 142.55 42.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 63.24 110.887 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -77.21 136.3 38.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 74.22 110.883 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.486 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 5.7 m -76.32 156.88 83.38 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.637 0.732 . . . . 72.52 110.866 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.486 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.1 Cg_endo -69.73 171.79 13.79 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.741 2.294 . . . . 64.33 112.346 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.65 57.74 1.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 45.42 111.055 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.425 ' HG2' ' HG2' ' A' ' 21' ' ' PRO . 2.9 ptt? -157.85 -36.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 74.1 110.863 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.512 HG12 ' H ' ' A' ' 26' ' ' TYR . 12.2 t -93.79 155.33 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 72.23 111.116 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -151.31 28.69 0.65 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 73.35 111.09 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.512 ' H ' HG12 ' A' ' 24' ' ' VAL . 53.9 m-85 -152.17 142.76 22.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 63.31 110.92 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.3 m -104.94 127.97 53.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 71.42 110.941 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.9 ttp -115.99 140.73 48.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 61.02 110.871 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.448 HG23 ' HG2' ' A' ' 43' ' ' LYS . 55.2 m -138.44 115.37 10.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 73.11 111.107 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -104.05 98.93 8.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 43.31 111.16 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -95.87 98.81 10.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 71.03 110.841 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.419 HG21 ' CE2' ' A' ' 34' ' ' TYR . 90.3 m -85.87 142.52 28.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 65.42 111.142 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -135.64 105.83 6.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 71.24 110.893 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.419 ' CE2' HG21 ' A' ' 32' ' ' THR . 30.8 m-85 -97.64 -68.15 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 74.21 110.952 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.549 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -118.1 160.84 37.56 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.536 0.684 . . . . 75.51 111.162 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.549 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.7 Cg_endo -69.78 -3.99 13.13 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.648 2.232 . . . . 64.45 112.371 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 56.6 p -124.75 -2.93 7.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 63.32 111.155 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 42.7 mtt-85 -145.23 122.25 11.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 70.23 110.885 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.63 177.74 8.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 73.44 110.889 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -152.76 149.72 28.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 72.22 110.908 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.707 HG11 ' HA ' ' A' ' 13' ' ' ASN . 12.4 p -142.55 150.94 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 73.41 111.138 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.9 p -146.59 133.51 20.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 73.21 110.876 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.448 ' HG2' HG23 ' A' ' 29' ' ' THR . 34.0 mttm -135.97 133.11 37.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 73.04 110.867 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.411 ' HA ' HG22 ' A' ' 6' ' ' VAL . 4.9 p -166.44 165.05 17.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 52.02 110.821 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.454 ' HB3' HG11 ' A' ' 24' ' ' VAL . 91.1 m -86.77 121.24 29.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 61.2 110.904 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.481 ' C ' HG13 ' A' ' 24' ' ' VAL . 33.2 m -124.71 152.02 68.72 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.636 0.731 . . . . 70.12 111.114 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -48.81 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.663 2.242 . . . . 35.22 112.366 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 27.5 mmm-85 -107.4 146.99 30.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 75.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 71.12 110.84 -179.923 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 96.6 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.93 0.395 . . . . 74.41 110.888 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.6 m -91.15 133.41 35.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 61.34 111.179 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.78 129.95 55.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 71.54 111.137 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.8 m -121.98 135.83 54.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 74.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 22.1 m -118.23 148.09 42.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 71.31 110.869 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 p -159.57 175.06 13.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 71.44 110.865 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -137.17 14.08 3.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 53.44 110.912 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.404 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 21.9 t80 -96.76 147.34 24.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 75.33 110.957 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -54.59 128.76 33.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 64.04 110.877 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.3 mt 49.03 35.36 6.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 53.22 110.951 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.404 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 28.0 p -65.5 -28.27 69.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 73.42 110.884 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.5 p-10 -94.85 25.57 4.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 72.33 110.885 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.745 -0.741 . . . . 74.25 112.481 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 26.6 tp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.824 0.345 . . . . 70.5 110.882 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.6 128.23 50.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 72.33 110.848 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.6 m -137.75 164.28 29.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 63.41 110.917 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -83.1 102.17 11.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 73.02 110.891 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.491 HG22 ' HA ' ' A' ' 44' ' ' SER . 85.9 t -99.88 113.18 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 64.32 111.136 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.4 p -178.55 171.83 1.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 60.41 110.876 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -144.86 127.03 15.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 31.1 111.123 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -145.1 148.52 33.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 70.14 110.895 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -95.33 66.35 2.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 72.51 110.92 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.9 -138.59 2.44 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.69 -0.767 . . . . 63.23 112.485 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -62.56 -76.1 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.808 0.337 . . . . 70.34 110.911 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.743 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -165.74 125.67 1.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 74.51 110.923 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.5 p -77.1 159.88 29.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 73.14 110.864 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -132.29 116.28 16.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 74.15 110.899 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -162.36 87.51 1.44 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.663 0.744 . . . . 75.25 110.884 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 122.37 9.05 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 2.258 . . . . 71.2 112.341 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -142.4 133.26 25.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 75.54 110.87 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -74.91 135.31 41.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 73.11 110.875 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.473 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 3.8 m -76.13 157.05 83.65 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.616 0.722 . . . . 74.22 110.89 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.473 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.6 Cg_endo -69.81 -171.47 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.713 2.275 . . . . 74.1 112.338 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.28 48.93 1.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 54.33 111.116 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.6 ptm -153.27 -33.69 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 74.13 110.857 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.606 HG11 ' HB3' ' A' ' 45' ' ' CYS . 14.1 t -89.43 142.95 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 54.22 111.118 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -144.72 30.11 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 64.14 111.123 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -159.04 150.09 20.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 74.25 110.902 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.6 m -104.39 126.39 51.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 74.14 110.867 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.0 ttp -102.69 139.11 38.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 62.31 110.908 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.516 ' O ' HG23 ' A' ' 64' ' ' THR . 76.0 m -137.04 135.48 37.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 74.4 111.13 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.6 m -136.28 98.06 3.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 74.04 111.164 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -97.56 102.01 13.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 64.22 110.92 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.3 m -89.09 156.93 18.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 72.24 111.151 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -133.43 102.64 5.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 73.01 110.929 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -84.88 -66.94 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 65.43 110.912 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.529 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -116.62 160.58 35.83 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.524 0.678 . . . . 43.34 111.184 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.529 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.8 Cg_endo -69.84 -5.2 15.69 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.267 . . . . 74.23 112.356 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.2 p -123.02 -3.9 8.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 61.23 111.101 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 44.7 mtt85 -145.29 130.74 18.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 70.52 110.867 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.74 174.4 10.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 73.23 110.862 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -141.88 155.32 45.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 72.03 110.875 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.743 HG11 ' HA ' ' A' ' 13' ' ' ASN . 8.5 p -140.87 147.74 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 74.12 111.115 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.29 126.41 16.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 53.34 110.788 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.467 ' HE3' HG21 ' A' ' 41' ' ' VAL . 28.0 mttt -134.89 146.84 49.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 71.21 110.901 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.491 ' HA ' HG22 ' A' ' 6' ' ' VAL . 4.6 p -164.94 172.54 12.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 71.4 110.835 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.606 ' HB3' HG11 ' A' ' 24' ' ' VAL . 1.7 m -96.75 122.17 39.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 74.33 110.905 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.517 ' O ' HG13 ' A' ' 24' ' ' VAL . 19.0 m -135.92 152.1 75.11 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.618 0.723 . . . . 72.41 111.161 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -44.58 2.01 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.679 2.253 . . . . 55.21 112.38 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -134.66 115.79 14.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 71.14 110.893 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 13.5 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 53.44 110.893 -179.929 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 82.3 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.97 0.415 . . . . 63.43 110.849 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 m -109.44 109.49 20.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.097 -0.501 . . . . 72.4 111.136 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 29' ' ' THR . 28.7 m -99.86 137.5 38.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 75.32 111.167 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.75 152.76 48.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 63.51 110.826 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.5 m -136.85 141.34 42.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 75.23 110.895 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.2 p -153.46 172.81 16.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 73.01 110.912 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -129.12 13.42 6.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 74.15 110.9 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.424 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 15.7 t80 -96.0 145.36 25.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 72.41 110.935 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -54.42 129.79 37.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 73.5 110.875 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.6 mt 47.77 35.69 4.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 72.02 110.968 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.424 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 28.0 p -66.37 -32.71 74.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 53.34 110.915 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 44.4 p-10 -83.6 -17.3 42.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 74.33 110.909 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.698 -0.763 . . . . 63.13 112.51 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 13.3 tp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.836 0.351 . . . . 73.12 110.891 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.2 129.99 55.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 73.21 110.855 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.1 m -136.54 166.86 22.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 72.41 110.904 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -84.05 114.6 21.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 72.14 110.86 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.409 HG22 ' HA ' ' A' ' 44' ' ' SER . 86.8 t -112.93 104.56 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 64.51 111.114 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.8 p -177.73 -175.41 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 70.21 110.878 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -154.38 136.07 14.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 74.12 111.064 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -145.67 155.01 42.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 52.21 110.902 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.417 ' HA ' ' HA ' ' A' ' 40' ' ' LYS . 78.2 m-20 -95.2 64.13 2.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 75.31 110.875 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.82 -133.75 1.55 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 70.23 112.494 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -70.42 -72.85 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 64.25 110.802 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.782 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -165.04 127.87 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 72.11 110.903 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.2 p -76.06 166.37 23.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 65.25 110.928 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -130.98 113.9 14.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 73.21 110.872 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -159.32 83.58 2.37 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.586 0.708 . . . . 43.4 110.897 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 120.03 6.88 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.683 2.255 . . . . 71.44 112.36 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.2 tpt -139.62 133.34 30.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 73.1 110.908 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -69.06 131.05 44.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 75.43 110.88 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.48 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 5.2 m -76.46 156.76 83.17 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.657 0.742 . . . . 64.24 110.891 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.48 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.3 Cg_endo -69.77 179.07 3.96 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.695 2.263 . . . . 75.12 112.32 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.07 55.42 1.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 70.1 111.081 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.1 ptm -157.67 -34.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 74.45 110.872 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.634 HG11 ' HB3' ' A' ' 45' ' ' CYS . 16.8 t -90.79 144.05 9.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 74.43 111.158 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -140.9 11.41 2.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 72.31 111.079 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -144.09 154.91 43.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 64.01 110.935 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.6 m -104.04 140.58 37.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 73.24 110.861 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.7 ttt -121.9 140.66 52.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 41.31 110.897 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 94.1 m -146.28 115.56 7.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 75.43 111.13 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.1 m -113.72 102.14 9.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 72.3 111.142 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -98.23 109.99 22.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 75.42 110.878 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.9 158.04 16.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 75.23 111.131 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -139.64 101.51 4.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.253 -0.43 . . . . 73.2 110.91 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -84.58 -57.8 2.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.079 -0.51 . . . . 73.41 110.906 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.529 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -123.6 160.4 51.12 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.599 0.714 . . . . 73.15 111.124 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.529 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.6 Cg_endo -69.76 -3.73 12.6 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.654 2.236 . . . . 73.11 112.358 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 p -125.79 -1.53 7.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 64.32 111.132 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -145.88 129.55 17.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 70.14 110.891 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -146.05 176.56 9.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 73.51 110.909 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -150.74 144.74 25.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 73.32 110.919 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.782 HG11 ' HA ' ' A' ' 13' ' ' ASN . 9.0 p -128.64 146.73 33.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.254 -0.43 . . . . 63.11 111.148 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.02 132.59 34.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 71.04 110.881 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -134.79 144.04 47.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 73.13 110.908 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.409 ' HA ' HG22 ' A' ' 6' ' ' VAL . 63.6 p -162.3 178.57 8.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 71.42 110.827 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.634 ' HB3' HG11 ' A' ' 24' ' ' VAL . 3.3 m -103.25 128.7 50.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 71.15 110.876 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.505 ' O ' HG13 ' A' ' 24' ' ' VAL . 33.1 m -143.13 152.29 57.72 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.592 0.71 . . . . 71.41 111.135 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -45.63 1.49 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.673 2.249 . . . . 72.11 112.328 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 44.3 mtm180 -134.03 130.18 37.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 75.12 110.886 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.6 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 71.2 110.877 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.4 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.907 0.384 . . . . 74.01 110.87 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 18.7 p -119.52 116.17 25.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 70.4 111.14 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.1 m -96.56 109.26 21.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 73.21 111.114 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.0 t -93.64 147.05 23.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 75.51 110.83 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.2 m -137.1 137.37 39.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 70.2 110.894 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.04 179.98 7.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 54.22 110.871 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -134.49 9.7 3.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 65.14 110.915 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -96.42 147.81 23.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.426 . . . . 74.42 110.893 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -59.21 133.34 56.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.089 -0.505 . . . . 71.31 110.875 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.9 mt 48.92 32.71 3.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 72.34 110.888 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.3 p -66.52 -27.42 67.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 70.35 110.881 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 44.1 p-10 -94.12 26.54 3.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 52.01 110.903 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 72.43 112.52 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.5 tp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.734 0.302 . . . . 74.53 110.951 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.94 131.75 56.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 73.33 110.894 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.4 m -140.23 167.12 22.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 62.42 110.907 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -84.11 112.36 20.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 71.03 110.825 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 63.9 t -109.07 103.74 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 75.53 111.162 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.9 p -175.71 168.47 3.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 75.04 110.892 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -142.17 129.07 20.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 60.24 111.122 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -144.3 146.86 32.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 71.34 110.932 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.411 ' HA ' ' HA ' ' A' ' 40' ' ' LYS . 6.7 m-80 -90.11 64.51 6.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 71.41 110.86 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.13 -140.67 2.93 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.748 . . . . 64.51 112.49 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -62.22 -77.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.342 . . . . 72.23 110.875 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.797 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -167.07 121.19 1.02 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 61.43 110.904 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.5 p -76.54 158.16 31.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 74.14 110.89 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -123.56 119.48 30.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 72.31 110.861 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -160.55 83.83 2.03 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.581 0.705 . . . . 61.12 110.835 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 117.75 5.27 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.708 2.272 . . . . 73.21 112.321 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -137.84 133.42 33.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 70.5 110.887 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -70.58 131.98 44.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 74.5 110.889 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.504 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 5.0 m -75.19 157.71 84.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.619 0.724 . . . . 52.12 110.88 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.504 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.4 Cg_endo -69.73 179.04 3.96 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.713 2.275 . . . . 65.1 112.35 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.39 52.68 1.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 74.32 111.118 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.7 ptt? -156.96 -37.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 73.41 110.892 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.641 HG11 ' HB3' ' A' ' 45' ' ' CYS . 22.0 t -83.52 143.42 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 54.2 111.143 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.26 32.32 1.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 61.11 111.095 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -161.17 148.18 14.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 75.22 110.932 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.4 m -104.61 130.39 52.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 63.34 110.91 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 17.4 ttp -108.43 142.59 38.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 75.55 110.83 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 98.6 m -142.74 105.72 4.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 62.34 111.126 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 52.3 m -103.65 97.54 7.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 54.43 111.132 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -97.11 98.98 10.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 62.24 110.878 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.9 m -86.54 157.15 19.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 53.21 111.153 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -134.85 104.85 6.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.259 -0.428 . . . . 73.22 110.945 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -83.86 -62.5 1.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 75.41 110.908 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.563 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -124.33 161.25 48.77 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.614 0.721 . . . . 71.2 111.114 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.563 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.3 Cg_endo -69.81 -2.49 10.3 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.685 2.257 . . . . 72.14 112.338 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.5 p -122.1 -5.21 8.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 74.41 111.137 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -147.49 136.79 22.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 74.45 110.882 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.41 175.05 10.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 74.13 110.879 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 10' ' ' ASN . 0.4 OUTLIER -145.44 153.58 41.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 71.14 110.908 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.797 HG11 ' HA ' ' A' ' 13' ' ' ASN . 7.3 p -137.81 148.36 25.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 71.44 111.119 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.98 115.18 8.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 44.12 110.893 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.551 ' HE3' HG21 ' A' ' 41' ' ' VAL . 40.5 mttt -120.62 145.31 47.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 75.24 110.893 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 52.2 p -165.11 167.58 18.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 53.23 110.859 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.641 ' HB3' HG11 ' A' ' 24' ' ' VAL . 3.3 m -92.2 121.05 33.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 60.24 110.9 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.512 ' O ' HG13 ' A' ' 24' ' ' VAL . 33.3 m -134.39 152.32 77.8 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.647 0.736 . . . . 74.45 111.128 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -42.27 3.51 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.697 2.265 . . . . 51.44 112.317 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? -134.02 127.89 33.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 72.43 110.87 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 35.4 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 62.41 110.893 -179.93 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.8 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.001 0.429 . . . . 43.24 110.857 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.21 126.27 52.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 73.34 111.124 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.5 m -98.11 107.3 19.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 55.45 111.143 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.7 m -94.54 131.83 39.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 74.43 110.85 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.0 m -124.51 139.56 53.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 53.32 110.899 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.4 p -155.0 170.62 21.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 72.31 110.848 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.8 tm0? -127.49 14.19 7.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 74.41 110.906 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.443 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 17.7 t80 -96.71 146.15 25.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 74.42 110.898 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -56.48 130.47 45.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.055 -0.52 . . . . 73.25 110.88 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.9 mt 49.21 33.65 5.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 60.12 110.903 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.443 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 29.1 p -66.23 -27.97 68.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 73.52 110.859 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 46.6 p-10 -93.8 26.5 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 70.12 110.9 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.749 . . . . 40.03 112.496 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.4 HD22 ' HG2' ' A' ' 68' ' ' GLN . 58.3 tp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.833 0.349 . . . . 72.15 110.881 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.433 ' HA ' ' HA ' ' A' ' 19' ' ' ARG . 1.6 m-20 -116.7 139.69 50.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 72.24 110.854 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m -155.92 176.55 12.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 74.22 110.891 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.402 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 82.6 m-70 -87.87 112.44 22.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 75.21 110.873 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.497 HG13 ' HA ' ' A' ' 44' ' ' SER . 72.8 t -111.04 109.59 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 73.54 111.135 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.5 p -176.85 177.48 1.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 61.33 110.924 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -150.22 134.11 16.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 75.21 111.142 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -153.32 146.85 24.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 72.13 110.854 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -95.28 67.42 2.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 73.33 110.926 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.67 -136.07 1.93 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.758 -0.734 . . . . 61.23 112.494 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.6 -77.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 55.02 110.838 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.757 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -166.45 123.17 1.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 55.41 110.876 -179.882 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.0 p -77.06 154.66 33.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 74.31 110.897 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -127.99 122.37 32.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 74.14 110.866 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.402 ' O ' ' HA ' ' A' ' 5' ' ' HIS . 63.2 t-20 -161.94 87.93 1.5 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.646 0.736 . . . . 64.33 110.876 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 106.96 1.76 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.669 2.246 . . . . 63.03 112.363 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.6 tpp -139.27 134.88 33.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 65.42 110.883 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.433 ' HA ' ' HA ' ' A' ' 3' ' ' ASP . 12.3 ttm-85 -77.49 151.81 34.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 74.14 110.906 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.525 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 3.2 m -81.97 159.4 65.77 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.637 0.732 . . . . 62.31 110.896 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.525 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.2 Cg_endo -69.75 -177.79 2.04 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 54.44 112.327 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.78 52.55 1.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 33.31 111.119 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -157.98 -39.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 52.3 110.897 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.706 HG11 ' HB3' ' A' ' 45' ' ' CYS . 53.4 t -85.88 148.36 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 75.43 111.164 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -147.42 32.76 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 70.51 111.071 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -156.61 153.47 28.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 73.3 110.963 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.8 m -110.1 133.12 53.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.503 . . . . 44.14 110.892 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.3 ttt -113.33 137.05 52.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 74.41 110.875 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.447 ' O ' HG23 ' A' ' 64' ' ' THR . 96.7 m -135.43 125.42 25.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 71.14 111.109 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.0 m -126.59 97.54 5.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 64.31 111.165 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -95.22 100.6 12.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 64.03 110.876 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.2 m -94.16 138.88 31.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 34.1 111.155 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -142.95 127.97 18.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 74.5 110.946 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -105.26 -45.33 4.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 42.43 110.952 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.591 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -136.26 162.75 54.63 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.627 0.727 . . . . 70.34 111.111 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.591 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 54.1 Cg_endo -69.72 -2.33 9.95 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.653 2.235 . . . . 73.0 112.368 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.7 p -122.35 -2.65 9.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 74.2 111.193 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -147.3 120.15 8.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 63.14 110.905 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.6 ptp -144.9 176.5 9.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 53.11 110.852 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -153.21 154.05 33.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 74.35 110.93 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.757 HG11 ' HA ' ' A' ' 13' ' ' ASN . 14.2 p -139.05 149.51 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 74.03 111.128 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.31 127.04 15.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 75.41 110.855 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.406 ' HE3' HG21 ' A' ' 41' ' ' VAL . 27.3 mttt -135.43 140.1 44.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 64.21 110.892 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.497 ' HA ' HG13 ' A' ' 6' ' ' VAL . 11.1 p -165.9 174.16 9.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 73.21 110.868 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.706 ' HB3' HG11 ' A' ' 24' ' ' VAL . 4.0 m -98.13 125.61 43.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 50.23 110.845 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.518 ' O ' HG13 ' A' ' 24' ' ' VAL . 28.3 m -132.3 153.0 81.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.596 0.712 . . . . 74.12 111.103 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -42.74 3.18 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.654 2.236 . . . . 63.53 112.353 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -134.48 107.27 7.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 74.02 110.915 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 52.6 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 73.02 110.886 -179.926 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.9 m . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.92 0.39 . . . . 64.3 110.877 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.1 m -116.65 113.43 22.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 55.13 111.133 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 29' ' ' THR . 22.5 m -106.4 141.12 38.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 71.34 111.174 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.2 t -132.24 155.2 48.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 74.42 110.849 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.5 m -133.96 142.28 47.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.5 . . . . 74.34 110.882 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.9 p -151.03 177.48 10.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 35.4 110.866 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.4 ' HG2' HD22 ' A' ' 2' ' ' LEU . 6.1 tt0 -139.14 12.95 2.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 70.24 110.904 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.414 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 30.3 t80 -95.99 148.9 22.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 74.44 110.894 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -53.98 129.07 32.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 74.41 110.861 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.1 mt 47.66 35.67 4.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 65.14 110.948 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.414 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 27.3 p -65.37 -29.56 70.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 74.25 110.861 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.5 p-10 -94.29 25.38 3.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 71.42 110.887 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.783 -0.722 . . . . 61.54 112.482 179.978 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 35.4 tp . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.798 0.333 . . . . 73.22 110.945 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -120.65 128.31 52.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 74.42 110.866 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.3 m -138.18 163.65 31.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 72.25 110.862 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -83.57 107.44 16.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 71.23 110.874 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.705 HG13 ' HA ' ' A' ' 44' ' ' SER . 15.5 t -104.84 108.87 25.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 72.01 111.119 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.4 p -175.52 160.69 2.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 53.12 110.868 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -134.92 130.71 36.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 73.41 111.098 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -144.48 151.27 38.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.877 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 -95.11 63.72 2.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 72.42 110.893 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.84 -137.99 2.31 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.764 -0.732 . . . . 74.33 112.509 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -64.7 -77.54 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.816 0.341 . . . . 61.23 110.844 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.75 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -167.61 122.33 1.01 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 70.51 110.858 -179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.5 p -76.24 177.92 6.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 52.23 110.866 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -143.82 120.99 11.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 41.34 110.863 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -163.52 87.47 1.24 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.656 0.741 . . . . 44.45 110.896 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 122.13 8.83 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.713 2.276 . . . . 73.54 112.353 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 49.0 mmm -141.14 137.78 32.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 74.13 110.866 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -75.46 133.96 40.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 62.43 110.941 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.498 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 3.9 m -76.07 157.74 82.95 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.616 0.722 . . . . 72.23 110.905 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.498 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.5 Cg_endo -69.74 175.21 8.39 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.727 2.285 . . . . 64.02 112.316 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.14 52.46 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 72.13 111.103 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.8 ptp -156.88 -39.48 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 74.32 110.865 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.688 HG11 ' HB3' ' A' ' 45' ' ' CYS . 39.3 t -82.01 146.04 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 55.42 111.14 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -147.63 31.36 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 70.03 111.053 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -158.83 147.26 18.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 73.52 110.913 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.6 m -104.82 128.11 52.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 63.01 110.904 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.9 ttm -113.68 143.91 43.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 71.21 110.864 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.691 HG23 ' HG3' ' A' ' 43' ' ' LYS . 54.4 m -145.94 118.42 8.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 53.15 111.158 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -107.16 100.1 9.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 62.13 111.143 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -97.43 97.53 9.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 71.34 110.875 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.0 m -91.54 115.49 28.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 71.3 111.13 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -105.65 120.5 41.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 63.12 110.895 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -105.59 -69.1 0.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 73.11 110.939 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.562 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -117.22 161.2 34.22 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.574 0.702 . . . . 65.2 111.148 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.562 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 54.0 Cg_endo -69.73 -5.13 15.44 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.692 2.261 . . . . 72.02 112.37 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.7 p -121.85 -5.26 9.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 75.34 111.189 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -144.45 122.75 12.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 74.1 110.815 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -141.52 166.04 25.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.889 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -137.81 145.71 42.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 71.23 110.927 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.75 HG11 ' HA ' ' A' ' 13' ' ' ASN . 9.4 p -142.8 145.16 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 72.41 111.104 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.23 126.91 13.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 75.0 110.899 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.691 ' HG3' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -129.3 145.85 51.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 73.23 110.859 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.705 ' HA ' HG13 ' A' ' 6' ' ' VAL . 82.8 p -166.05 171.99 11.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 61.12 110.9 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.688 ' HB3' HG11 ' A' ' 24' ' ' VAL . 1.7 m -94.81 123.57 38.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 61.13 110.856 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.528 ' O ' HG13 ' A' ' 24' ' ' VAL . 35.4 m -133.01 152.58 80.01 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.616 0.722 . . . . 50.22 111.127 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -44.96 1.78 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.725 2.284 . . . . 74.14 112.324 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -134.32 107.46 7.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 73.24 110.865 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.7 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 64.4 110.92 -179.968 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.942 0.401 . . . . 74.12 110.876 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.0 131.17 53.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 71.34 111.138 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 29.4 m -100.51 131.58 46.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 73.52 111.132 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 m -113.73 129.97 56.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 62.22 110.871 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.7 m -122.62 134.86 54.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 65.34 110.865 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.6 p -155.91 173.25 17.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 43.41 110.911 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -131.12 12.35 5.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 52.33 110.909 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.415 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 14.5 t80 -95.75 144.09 26.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.915 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -54.63 129.8 37.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.081 -0.508 . . . . 61.25 110.873 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 17.4 mt 48.58 35.38 6.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 35.01 110.945 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.415 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 26.5 p -65.78 -34.17 77.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 71.14 110.889 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 49.6 p-10 -83.5 -17.47 41.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 64.43 110.885 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 C-N-CA 120.749 -0.739 . . . . 51.31 112.504 179.957 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 57.3 tp . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.804 0.335 . . . . 61.44 110.944 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.429 ' HA ' ' HA ' ' A' ' 19' ' ' ARG . 1.6 m-20 -113.9 138.78 49.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 73.22 110.887 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m -155.97 171.58 19.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 74.13 110.906 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -84.39 111.35 19.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 73.42 110.824 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.468 HG22 ' HA ' ' A' ' 44' ' ' SER . 94.7 t -111.96 112.36 40.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 71.32 111.111 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 30.8 p -175.13 177.11 1.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 73.22 110.881 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.84 136.55 20.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 42.24 111.094 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -157.01 147.77 21.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 74.44 110.892 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -95.04 66.74 3.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 73.43 110.909 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.07 -133.93 1.56 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 62.21 112.483 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -67.4 -78.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 72.44 110.843 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.748 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -167.14 119.14 0.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 65.42 110.886 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 32.1 p -77.53 151.82 34.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 70.22 110.884 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -120.55 127.8 52.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 71.11 110.912 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -165.49 89.27 0.94 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.619 0.723 . . . . 62.23 110.935 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 107.92 1.97 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.699 2.266 . . . . 71.53 112.338 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.5 ttm -138.37 134.63 34.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 62.15 110.891 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.429 ' HA ' ' HA ' ' A' ' 3' ' ' ASP . 13.2 ttm-85 -76.9 151.15 35.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 75.51 110.903 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.511 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 16.1 m -83.93 158.1 62.35 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.676 0.75 . . . . 71.33 110.851 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.511 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.0 Cg_endo -69.75 174.05 10.07 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.266 . . . . 52.03 112.353 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.34 55.79 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 73.23 111.118 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.568 ' HG3' HG23 ' A' ' 24' ' ' VAL . 2.7 ptp -158.15 -38.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 71.33 110.883 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.587 HG11 ' HB3' ' A' ' 45' ' ' CYS . 21.3 t -92.13 149.93 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 71.03 111.151 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -148.11 39.83 0.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 75.31 111.079 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -160.59 143.82 13.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 72.02 110.91 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.7 m -105.86 133.86 49.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 65.35 110.834 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.3 ttt -124.03 144.27 49.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 73.25 110.887 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 60.6 m -143.96 118.29 9.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 43.22 111.132 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.15 101.67 10.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 51.32 111.121 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -96.17 99.77 11.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 53.01 110.864 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.9 m -94.14 141.24 28.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 73.41 111.126 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -143.45 123.02 13.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 71.22 110.938 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -105.07 -46.83 4.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 71.52 110.916 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.543 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -130.01 161.24 61.04 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.597 0.713 . . . . 55.24 111.178 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.543 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 54.2 Cg_endo -69.7 -5.12 15.41 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.666 2.244 . . . . 71.24 112.353 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.3 p -124.04 -2.85 8.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 70.51 111.145 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -141.47 114.94 8.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 62.54 110.836 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.23 175.22 10.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 65.42 110.863 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -152.41 155.9 38.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 73.52 110.921 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.748 HG11 ' HA ' ' A' ' 13' ' ' ASN . 14.9 p -140.84 150.54 20.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 33.53 111.156 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 p -144.44 122.39 12.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 54.52 110.891 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.449 ' HE2' HG21 ' A' ' 41' ' ' VAL . 24.9 mttm -129.53 133.35 47.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 75.53 110.918 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.468 ' HA ' HG22 ' A' ' 6' ' ' VAL . 53.3 p -166.6 175.06 8.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 70.12 110.845 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.587 ' HB3' HG11 ' A' ' 24' ' ' VAL . 95.4 m -91.89 136.28 33.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 70.04 110.901 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.454 ' C ' HG13 ' A' ' 24' ' ' VAL . 31.8 m -138.11 152.94 72.83 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.589 0.709 . . . . 61.21 111.143 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -46.11 1.34 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.709 2.273 . . . . 74.1 112.322 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 38.7 mtp180 -137.68 109.19 6.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 73.52 110.838 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 49.7 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 64.54 110.894 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.9 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.973 0.416 . . . . 64.03 110.841 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.49 117.29 24.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.496 . . . . 64.34 111.145 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.5 m -98.61 143.42 29.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 73.1 111.143 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 t -126.19 148.49 49.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 72.33 110.872 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.9 m -134.79 138.01 43.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 54.31 110.853 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.0 p -156.04 175.48 13.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 64.52 110.88 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -137.82 13.08 2.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 73.21 110.918 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.411 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 35.3 t80 -95.86 148.45 22.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 75.55 110.903 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -53.98 129.48 34.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 64.45 110.842 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 28.2 mt 47.5 35.91 4.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 62.44 110.884 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.411 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 27.0 p -65.32 -31.41 72.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 62.43 110.901 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -94.04 25.64 3.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 72.25 110.891 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 C-N-CA 120.748 -0.739 . . . . 74.45 112.452 179.98 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 39.7 tp . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.805 0.336 . . . . 73.04 110.929 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.27 139.11 53.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 73.44 110.816 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m -154.72 173.91 15.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 63.25 110.896 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -83.92 115.71 22.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 73.33 110.875 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.43 HG13 ' HA ' ' A' ' 44' ' ' SER . 96.5 t -113.46 102.31 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 71.41 111.142 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.5 p -175.81 -176.46 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 54.32 110.89 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -153.81 137.05 15.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.464 . . . . 75.41 111.129 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -150.1 136.65 19.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 74.01 110.935 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.447 ' HA ' ' HA ' ' A' ' 40' ' ' LYS . 0.7 OUTLIER -76.78 64.49 2.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 50.14 110.875 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.71 -138.09 2.33 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.774 -0.727 . . . . 21.14 112.522 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.69 -77.54 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.825 0.345 . . . . 72.13 110.856 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.819 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -165.58 122.73 1.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 71.22 110.868 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.3 p -76.71 157.77 31.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 63.31 110.88 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -121.9 117.75 27.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 64.31 110.923 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -161.73 84.87 1.68 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.618 0.723 . . . . 63.1 110.877 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 125.94 12.72 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.658 2.239 . . . . 51.34 112.373 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.8 tpp -145.22 138.57 26.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 71.43 110.904 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.0 tpp180 -75.28 129.93 38.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 64.43 110.88 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.5 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 5.9 m -75.5 157.34 84.55 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.601 0.715 . . . . 61.02 110.933 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.5 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.3 Cg_endo -69.68 177.26 5.7 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.686 2.257 . . . . 74.42 112.363 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.8 55.64 1.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 50.52 111.12 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 14.2 ptp -158.13 -39.09 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 74.55 110.841 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.636 HG11 ' HB3' ' A' ' 45' ' ' CYS . 20.8 t -78.05 141.07 16.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 74.34 111.12 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -139.16 11.31 2.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 72.35 111.127 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -147.69 147.62 30.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 73.23 110.883 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.9 m -103.86 125.4 50.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.505 . . . . 53.14 110.904 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.6 ttp -100.99 143.54 31.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 55.03 110.863 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 81.9 m -145.48 109.88 4.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 64.02 111.153 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.56 100.17 9.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 72.21 111.147 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -96.13 101.62 13.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 75.35 110.89 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.7 m -95.41 134.32 38.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 73.54 111.105 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.4 p90 -135.24 116.34 14.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 71.34 110.937 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -99.38 -46.33 5.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.505 . . . . 75.22 110.961 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.549 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -131.85 161.29 63.43 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.583 0.706 . . . . 71.41 111.155 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.549 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 54.0 Cg_endo -69.7 -5.42 16.14 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.722 2.282 . . . . 71.12 112.342 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.8 p -123.71 -2.34 8.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 72.25 111.128 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -142.48 113.97 7.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 71.53 110.867 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.7 ptp -137.12 175.87 9.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 62.14 110.898 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 10' ' ' ASN . 18.3 tptm -154.57 145.45 22.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 73.02 110.907 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.819 HG11 ' HA ' ' A' ' 13' ' ' ASN . 12.0 p -131.66 152.19 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 72.43 111.168 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.2 p -145.81 127.89 15.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 63.12 110.889 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.404 ' HE2' HG21 ' A' ' 41' ' ' VAL . 28.1 mttm -133.14 140.88 47.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 70.33 110.878 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.43 ' HA ' HG13 ' A' ' 6' ' ' VAL . 95.1 p -161.3 170.71 19.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 74.04 110.862 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.636 ' HB3' HG11 ' A' ' 24' ' ' VAL . 8.6 m -99.01 125.62 44.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 73.45 110.928 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.541 ' O ' HG13 ' A' ' 24' ' ' VAL . 28.6 m -139.09 152.68 70.42 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.609 0.719 . . . . 62.11 111.121 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 -40.19 5.51 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.694 2.262 . . . . 53.34 112.378 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.6 mmt85 -133.86 127.12 31.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 75.55 110.902 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 42.1 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 63.44 110.887 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.89 0.376 . . . . 62.14 110.893 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.75 114.13 21.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 74.12 111.109 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.6 m -94.67 113.42 25.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 72.1 111.161 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.65 153.35 18.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 72.22 110.833 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 13.7 m -138.94 143.72 38.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 74.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.7 p -156.45 179.98 8.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 73.42 110.875 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -139.95 12.4 2.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 74.12 110.901 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.419 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 25.8 t80 -96.03 148.09 23.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 74.31 110.909 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -54.4 128.83 33.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.103 -0.499 . . . . 63.55 110.902 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.6 mt 48.89 34.98 5.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 65.33 110.913 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.419 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 27.6 p -65.6 -27.08 68.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 54.41 110.874 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 51.6 p30 -94.6 26.27 3.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 72.11 110.856 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.747 . . . . 52.42 112.492 179.939 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 34.8 tp . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.782 0.325 . . . . 72.42 110.971 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.44 130.44 53.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 71.13 110.862 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.7 m -140.59 163.56 32.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 72.35 110.883 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -83.39 104.32 13.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 72.14 110.847 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.583 HG22 ' HA ' ' A' ' 44' ' ' SER . 84.4 t -101.77 110.93 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 53.31 111.125 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.1 p -177.43 162.84 1.92 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 44.34 110.884 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -134.89 129.23 34.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 53.2 111.102 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -145.54 147.39 32.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 73.22 110.899 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -95.32 65.29 2.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 74.43 110.874 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.19 -139.13 2.56 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.741 -0.742 . . . . 42.04 112.508 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -63.23 -75.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.856 0.36 . . . . 64.25 110.895 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.722 ' HA ' HG11 ' A' ' 41' ' ' VAL . 1.5 m-20 -165.43 126.37 1.92 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.863 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.8 p -77.07 173.47 11.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 60.13 110.849 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -144.46 116.05 8.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 72.43 110.919 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -162.75 87.68 1.36 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.64 0.733 . . . . 72.34 110.86 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 119.37 6.33 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.692 2.261 . . . . 73.51 112.334 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -138.88 133.77 32.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 73.1 110.87 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.4 tpp180 -75.19 133.33 41.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 72.31 110.908 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.494 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 3.4 m -76.76 157.92 81.32 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.647 0.736 . . . . 74.13 110.904 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.494 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.0 Cg_endo -69.77 -170.5 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 2.263 . . . . 61.44 112.317 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.48 36.92 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 54.15 111.107 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.2 ptp -140.79 -28.46 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 64.22 110.88 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.665 HG11 ' HB3' ' A' ' 45' ' ' CYS . 15.6 t -94.42 141.88 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 74.52 111.135 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.16 28.79 1.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 71.03 111.075 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -155.9 147.47 22.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 74.54 110.931 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.3 m -104.3 124.44 49.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 74.12 110.867 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.3 ttt -104.08 138.34 40.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 63.21 110.893 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 65.9 m -143.2 114.93 8.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 75.12 111.139 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.2 m -111.77 102.37 10.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 73.32 111.117 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -98.19 104.41 16.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 74.02 110.892 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.8 m -96.52 161.8 13.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 61.52 111.137 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -133.8 106.82 7.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 73.04 110.906 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -84.5 -70.38 0.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 71.2 110.926 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.528 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -111.97 161.05 27.56 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.632 0.73 . . . . 73.45 111.123 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.528 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.9 Cg_endo -69.76 -4.87 14.9 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.695 2.263 . . . . 71.03 112.325 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.9 p -123.58 -4.24 8.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 72.12 111.126 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.6 mtp-105 -145.03 132.85 21.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 64.5 110.902 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -134.2 170.08 16.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 65.14 110.88 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -137.55 147.72 45.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 63.34 110.873 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.722 HG11 ' HA ' ' A' ' 13' ' ' ASN . 13.5 p -136.99 150.47 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 61.23 111.158 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.5 p -143.69 129.67 19.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 71.21 110.88 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.4 mttm -135.61 145.85 47.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 63.31 110.884 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.583 ' HA ' HG22 ' A' ' 6' ' ' VAL . 75.3 p -166.5 175.68 7.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 70.42 110.835 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.665 ' HB3' HG11 ' A' ' 24' ' ' VAL . 1.6 m -100.21 120.9 40.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.493 . . . . 74.32 110.897 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.547 ' O ' HG13 ' A' ' 24' ' ' VAL . 34.4 m -131.87 152.01 79.54 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.619 0.723 . . . . 65.42 111.124 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -43.36 2.67 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.678 2.252 . . . . 72.44 112.347 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.2 mmt85 -133.9 125.05 27.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 53.3 110.875 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 41.1 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 43.21 110.842 -179.926 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.7 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.901 0.381 . . . . 74.1 110.877 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.6 t -144.76 145.71 31.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 74.02 111.173 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.8 m -122.77 134.98 54.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 73.1 111.153 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.9 m -116.1 146.26 42.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 75.33 110.862 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 5.2 m -133.84 140.61 46.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 72.1 110.874 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.1 p -152.72 178.39 9.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 64.24 110.899 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -134.2 11.59 3.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 63.45 110.934 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.421 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 18.0 t80 -95.36 146.38 24.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 72.12 110.931 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -54.28 130.42 38.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 62.32 110.836 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.8 mt 46.6 36.05 3.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 70.04 110.877 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.421 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 27.2 p -65.8 -33.49 75.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 54.14 110.9 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 45.0 p-10 -83.66 -21.26 32.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 71.52 110.929 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.737 -0.744 . . . . 64.23 112.534 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 27.1 tp . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.81 0.338 . . . . 74.11 110.92 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.0 140.11 51.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 73.12 110.82 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m -155.9 174.32 15.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 51.34 110.923 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -83.6 118.62 23.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 72.23 110.906 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.757 HG13 ' HA ' ' A' ' 44' ' ' SER . 18.3 t -117.59 105.86 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 74.51 111.137 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.7 p -178.4 176.51 1.04 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 71.23 110.892 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -144.07 130.12 19.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 64.33 111.124 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -144.63 152.93 41.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 71.43 110.946 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 54.2 m-20 -95.16 64.54 2.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 65.32 110.921 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.19 -136.53 2.01 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 72.2 112.497 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -67.13 -76.43 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.789 0.328 . . . . 74.34 110.899 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.732 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -166.51 121.8 1.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 64.12 110.905 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.2 p -76.22 141.98 41.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 62.22 110.882 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -106.55 117.1 33.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 70.42 110.824 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -160.79 81.64 2.13 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.631 0.729 . . . . 60.3 110.902 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 122.3 8.97 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.657 2.238 . . . . 33.23 112.308 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 33.7 mmm -139.93 141.33 36.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 73.21 110.91 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -75.99 129.57 37.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 73.44 110.908 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.489 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 8.3 m -74.02 157.32 87.14 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.627 0.727 . . . . 63.33 110.914 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.489 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.6 Cg_endo -69.83 174.2 9.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.704 2.269 . . . . 71.11 112.316 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.13 53.84 0.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 74.43 111.074 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.1 ptm -156.32 -39.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 64.13 110.882 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.643 HG11 ' HB3' ' A' ' 45' ' ' CYS . 41.2 t -78.08 146.25 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 72.31 111.158 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.29 22.81 1.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 62.0 111.089 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -157.58 149.19 21.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 73.13 110.91 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.8 m -104.79 127.28 52.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 70.11 110.846 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.8 ttt -107.22 141.15 38.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 74.42 110.84 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.412 HG23 ' HG2' ' A' ' 43' ' ' LYS . 36.0 m -145.87 115.57 7.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 62.32 111.163 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 36.6 m -108.97 106.21 16.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 72.14 111.101 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.08 106.42 18.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 70.3 110.887 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.652 HG23 ' HB2' ' A' ' 62' ' ' SER . 6.5 m -95.18 156.68 16.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 73.23 111.122 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -133.85 100.95 4.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 50.52 110.919 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -85.02 -69.5 0.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 65.13 110.942 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.536 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -114.67 160.58 32.74 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.597 0.713 . . . . 74.1 111.107 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.536 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.5 Cg_endo -69.78 -5.0 15.18 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.692 2.261 . . . . 72.33 112.335 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.4 p -123.14 -4.28 8.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 74.14 111.137 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.9 mmt85 -145.52 132.11 19.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 63.43 110.863 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.84 177.28 7.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 60.53 110.862 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -141.61 144.64 34.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 74.12 110.878 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.732 HG11 ' HA ' ' A' ' 13' ' ' ASN . 5.8 p -135.66 142.99 37.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 62.3 111.128 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.54 132.14 34.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 72.34 110.855 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.412 ' HG2' HG23 ' A' ' 29' ' ' THR . 22.3 mttt -135.01 139.01 44.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 61.1 110.879 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.757 ' HA ' HG13 ' A' ' 6' ' ' VAL . 4.8 p -162.25 168.32 22.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 60.13 110.839 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.643 ' HB3' HG11 ' A' ' 24' ' ' VAL . 1.7 m -99.24 123.07 43.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 74.42 110.817 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.54 ' O ' HG13 ' A' ' 24' ' ' VAL . 34.2 m -135.26 151.55 75.22 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.639 0.733 . . . . 74.21 111.122 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -41.48 4.28 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.67 2.247 . . . . 72.43 112.366 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.7 mtp85 -134.04 119.36 18.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 72.04 110.862 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.7 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 75.12 110.903 -179.964 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.652 ' HB2' HG23 ' A' ' 32' ' ' THR . 3.9 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.954 0.406 . . . . 64.4 110.88 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.5 t -145.45 167.93 21.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 74.13 111.129 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.3 m -129.96 145.33 51.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 65.31 111.137 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.5 t -126.62 139.61 53.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 34.12 110.888 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.9 m -126.25 137.64 53.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 75.41 110.884 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.7 p -152.92 174.37 14.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 73.42 110.878 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -134.27 13.87 3.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 63.53 110.934 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.441 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 17.4 t80 -96.36 145.93 25.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 73.3 110.91 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -54.61 129.18 35.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 74.01 110.889 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.5 mt 48.3 35.53 5.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 75.05 110.898 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.441 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 27.8 p -65.86 -26.44 67.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 70.44 110.876 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 -94.54 25.79 3.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 55.13 110.844 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.79 -0.719 . . . . 50.23 112.514 179.942 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 17.4 tp . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.779 0.323 . . . . 64.2 110.88 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.67 133.23 56.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 63.32 110.888 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 21.8 m -139.98 168.48 19.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 74.51 110.83 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -84.33 112.81 20.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.836 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.437 HG22 ' HA ' ' A' ' 44' ' ' SER . 80.1 t -109.5 100.19 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 71.1 111.151 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.9 p -176.11 170.64 2.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 65.25 110.882 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -142.02 134.53 28.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 71.51 111.084 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -145.27 151.75 38.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 72.33 110.943 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -93.42 63.7 3.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 64.13 110.927 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.21 -138.02 2.32 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.749 -0.739 . . . . 55.3 112.488 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -65.98 -75.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 51.22 110.862 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.641 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.5 OUTLIER -165.88 127.05 1.86 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 64.42 110.849 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.6 p -79.94 162.42 24.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 64.14 110.855 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -125.64 115.01 19.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 75.54 110.886 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 37.7 t-20 -158.11 82.63 2.82 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.587 0.708 . . . . 72.31 110.875 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 122.25 8.92 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.699 2.266 . . . . 71.24 112.34 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -142.21 133.29 26.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 54.42 110.9 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -69.56 132.98 47.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 75.53 110.836 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.493 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 3.9 m -76.32 157.71 82.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.647 0.737 . . . . 73.1 110.865 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.493 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.1 Cg_endo -69.77 -179.68 3.08 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.733 2.289 . . . . 65.43 112.378 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.42 54.52 1.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 64.51 111.113 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.9 ptp -158.28 -39.45 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 71.5 110.882 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.706 HG11 ' HB3' ' A' ' 45' ' ' CYS . 37.4 t -84.14 144.58 9.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 53.32 111.123 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.79 27.34 1.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 74.32 111.075 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -156.4 152.63 27.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 72.42 110.873 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.1 m -104.7 141.61 36.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 73.43 110.89 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.3 ttm -120.2 143.37 48.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 64.04 110.878 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 88.0 m -145.17 111.38 5.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 72.13 111.129 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.0 m -111.64 101.77 10.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 72.03 111.14 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -97.32 103.6 15.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 75.34 110.863 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 98.5 m -87.39 136.3 32.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 70.41 111.15 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -106.25 111.99 24.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 62.34 110.92 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -98.13 -80.53 0.45 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 75.34 110.944 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.468 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.3 p -113.05 161.91 24.45 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.621 0.724 . . . . 75.53 111.132 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.468 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.7 Cg_endo -69.76 -3.54 12.21 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.713 2.276 . . . . 74.11 112.352 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.7 p -122.76 -7.42 8.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 52.04 111.153 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.3 mmm-85 -146.61 140.26 25.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 50.34 110.897 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.5 ptp -143.53 171.74 13.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 75.42 110.868 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.0 mtpp -134.92 140.43 45.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 74.11 110.871 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.641 HG11 ' HA ' ' A' ' 13' ' ' ASN . 9.3 p -132.98 147.08 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 65.31 111.163 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 p -143.0 129.31 19.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 63.45 110.85 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.578 ' HE2' HG22 ' A' ' 41' ' ' VAL . 8.9 mtmt -135.88 140.75 44.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 74.42 110.912 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.437 ' HA ' HG22 ' A' ' 6' ' ' VAL . 33.8 p -163.95 175.03 10.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 63.13 110.803 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.706 ' HB3' HG11 ' A' ' 24' ' ' VAL . 1.7 m -95.71 125.54 40.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.058 -0.519 . . . . 64.41 110.86 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.553 ' O ' HG13 ' A' ' 24' ' ' VAL . 32.6 m -135.4 152.22 76.19 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.623 0.725 . . . . 63.22 111.077 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -46.4 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.697 2.265 . . . . 73.01 112.348 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -134.77 120.61 19.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 71.53 110.845 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 23.0 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 55.25 110.888 -179.951 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 61.5 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.956 0.408 . . . . 61.13 110.869 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 29.9 m -112.15 117.49 32.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 63.24 111.164 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.2 m -94.83 107.12 19.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 71.23 111.169 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 60.3 m -97.39 135.33 39.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 71.4 110.856 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.3 m -127.76 137.07 52.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 61.51 110.91 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.1 p -150.62 177.25 10.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 74.25 110.886 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -132.65 12.25 4.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 52.02 110.898 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.453 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 19.1 t80 -96.51 146.4 24.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 75.31 110.904 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -58.02 131.28 49.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 72.22 110.896 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.9 mt 49.74 32.23 5.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 65.22 110.947 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.453 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 30.5 p -66.34 -26.03 67.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 71.44 110.863 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 46.2 p-10 -94.5 26.32 3.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 75.52 110.889 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.75 . . . . 61.11 112.478 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.416 HD22 ' HG3' ' A' ' 68' ' ' GLN . 54.3 tp . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.797 0.332 . . . . 73.34 110.926 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -110.07 130.73 55.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 62.54 110.884 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 14.3 m -140.12 163.0 33.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 73.22 110.895 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -83.23 113.91 21.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 72.35 110.833 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.457 HG22 ' HA ' ' A' ' 44' ' ' SER . 60.2 t -109.49 104.03 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 64.43 111.167 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.1 p -176.68 169.96 2.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 72.21 110.855 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -143.65 132.29 22.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 52.12 111.087 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -144.11 152.87 41.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 73.53 110.905 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -95.62 64.69 2.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.074 -0.512 . . . . 63.12 110.912 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.81 -130.35 1.11 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 53.0 112.52 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -74.89 -76.71 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.342 . . . . 74.41 110.864 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.623 ' HA ' HG11 ' A' ' 41' ' ' VAL . 21.8 m-80 -162.83 122.77 2.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 75.2 110.884 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.6 p -77.05 164.03 26.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 65.13 110.896 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -127.49 118.4 23.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 74.21 110.874 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.404 ' HA ' ' HD2' ' A' ' 17' ' ' PRO . 37.3 t-20 -162.61 88.25 1.37 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.577 0.703 . . . . 74.34 110.913 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 16' ' ' ASN . 53.9 Cg_endo -69.71 118.1 5.48 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.661 2.241 . . . . 74.32 112.364 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -131.58 126.97 36.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 64.42 110.922 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -72.61 123.84 24.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 75.33 110.846 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.48 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 5.4 m -71.56 157.24 90.26 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.632 0.73 . . . . 75.11 110.906 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.48 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.3 Cg_endo -69.81 -171.82 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.706 2.271 . . . . 65.32 112.336 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.57 35.38 0.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 71.1 111.088 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.429 ' HG3' HG23 ' A' ' 24' ' ' VAL . 6.5 ptp -136.05 -29.36 1.01 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 73.35 110.871 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.691 HG11 ' HB3' ' A' ' 45' ' ' CYS . 72.5 t -92.94 146.0 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 41.53 111.162 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -147.36 42.49 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 65.14 111.107 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.401 ' CE2' ' HB3' ' A' ' 66' ' ' CYS . 0.7 OUTLIER -170.84 154.41 4.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.916 -179.876 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.1 m -111.73 137.26 49.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 64.34 110.878 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.7 ttt -120.87 137.54 54.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 41.22 110.899 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.479 HG23 ' HG2' ' A' ' 43' ' ' LYS . 47.3 m -141.81 113.26 7.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.27 -0.423 . . . . 74.34 111.149 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.3 m -102.57 97.55 7.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 61.23 111.116 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -95.73 96.14 8.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 73.21 110.879 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 87.0 m -96.02 131.21 42.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 73.13 111.168 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -135.04 109.87 8.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 71.14 110.951 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -89.12 -51.33 5.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 72.13 110.94 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.571 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -135.32 162.98 54.15 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.557 0.694 . . . . 63.31 111.124 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.571 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.9 Cg_endo -69.74 -1.92 9.27 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.69 2.26 . . . . 74.1 112.351 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.5 p -122.23 -3.76 8.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.444 . . . . 54.34 111.149 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.8 mmt-85 -146.97 114.77 6.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 71.4 110.86 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.67 168.75 19.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 61.52 110.898 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.51 144.64 21.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.423 . . . . 75.21 110.9 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.623 HG11 ' HA ' ' A' ' 13' ' ' ASN . 14.9 p -134.61 151.33 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 63.41 111.127 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 p -145.8 133.6 21.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 65.32 110.85 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.479 ' HG2' HG23 ' A' ' 29' ' ' THR . 20.2 mttm -135.77 141.61 44.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.129 -0.487 . . . . 74.41 110.902 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.457 ' HA ' HG22 ' A' ' 6' ' ' VAL . 1.4 p -166.43 174.57 8.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 64.02 110.86 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.691 ' HB3' HG11 ' A' ' 24' ' ' VAL . 17.6 m -93.6 132.7 37.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 34.01 110.897 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.408 ' C ' HG13 ' A' ' 24' ' ' VAL . 33.1 m -146.3 153.49 48.38 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.645 0.736 . . . . 74.32 111.119 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -45.29 1.63 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.708 2.272 . . . . 63.23 112.344 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.5 mtp85 -135.04 109.28 8.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 72.11 110.829 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.3 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 55.2 110.879 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.978 0.418 . . . . 71.31 110.875 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -127.4 137.44 52.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 73.21 111.144 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.0 m -114.78 123.58 49.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 61.03 111.123 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.0 m -105.46 124.38 49.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 65.11 110.867 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.401 ' HB3' ' CE2' ' A' ' 26' ' ' TYR . 2.1 m -122.37 149.22 44.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 71.03 110.89 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -165.5 173.26 11.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 73.35 110.918 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.416 ' HG3' HD22 ' A' ' 2' ' ' LEU . 25.6 tt0 -126.82 13.84 7.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 73.44 110.918 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.468 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 16.6 t80 -95.9 145.94 24.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 62.32 110.918 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -55.77 130.52 43.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 54.43 110.879 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.5 mt 48.16 32.91 3.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 71.21 110.963 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.468 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 31.6 p -66.23 -29.27 69.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 74.15 110.896 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 47.3 p-10 -92.46 27.47 2.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 52.24 110.835 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.775 -0.726 . . . . 72.15 112.486 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 27.9 tp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.778 0.323 . . . . 73.22 110.91 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.02 130.39 55.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 72.51 110.865 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.7 m -141.66 164.62 29.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 73.55 110.83 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -84.4 109.49 17.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 70.43 110.887 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.8 t -106.78 107.59 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 74.2 111.085 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 24.6 p -176.49 173.93 1.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 53.24 110.894 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.12 128.29 13.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 73.51 111.102 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -144.33 147.72 33.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 75.41 110.898 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.422 ' HA ' ' HA ' ' A' ' 40' ' ' LYS . 1.5 m-80 -94.04 66.09 3.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.519 . . . . 73.44 110.906 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.61 -136.91 2.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.747 . . . . 64.11 112.492 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -64.73 -77.23 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.84 0.352 . . . . 74.24 110.84 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.734 ' HA ' HG11 ' A' ' 41' ' ' VAL . 45.6 m-80 -162.34 124.19 2.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 74.34 110.929 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.1 p -76.49 157.69 31.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 63.45 110.915 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -130.34 118.56 21.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 75.14 110.874 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -162.64 83.89 1.54 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.631 0.729 . . . . 73.52 110.896 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 113.28 3.33 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.62 2.214 . . . . 73.04 112.333 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.5 tpt -133.1 139.01 46.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 72.11 110.908 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.0 tpp180 -73.91 135.18 43.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 74.32 110.895 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.511 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 4.4 m -77.02 158.03 80.64 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.626 0.727 . . . . 74.22 110.907 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.511 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.0 Cg_endo -69.75 177.51 5.5 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.634 2.223 . . . . 65.34 112.38 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.0 51.72 1.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 73.34 111.084 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 17.0 ptm -157.3 -39.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 74.25 110.889 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.687 HG11 ' HB3' ' A' ' 45' ' ' CYS . 24.4 t -79.62 143.23 12.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 71.44 111.149 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.23 32.07 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 54.32 111.136 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -160.71 149.07 16.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 63.42 110.956 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.0 m -104.7 129.68 52.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 65.24 110.873 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.4 ttp -108.86 136.72 47.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 43.31 110.884 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 64' ' ' THR . 92.2 m -139.04 123.07 17.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 75.4 111.146 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.2 m -120.98 100.92 7.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 54.34 111.183 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 -98.51 99.73 10.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 71.41 110.897 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -92.03 152.83 19.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 71.21 111.129 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -133.81 107.64 8.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 63.11 110.918 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -84.98 -65.4 1.01 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 74.51 110.96 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.565 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -122.52 161.83 41.48 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.593 0.711 . . . . 73.43 111.153 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.565 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.7 Cg_endo -69.8 -3.24 11.65 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.666 2.244 . . . . 70.03 112.342 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.05 -7.13 9.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 55.22 111.155 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.7 mtt180 -146.79 135.21 21.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 74.24 110.893 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.7 172.74 12.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 72.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 10' ' ' ASN . 7.8 ttpp -144.6 153.05 41.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 64.11 110.906 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.734 HG11 ' HA ' ' A' ' 13' ' ' ASN . 13.0 p -143.05 152.11 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 60.15 111.098 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.3 p -147.99 127.82 13.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 64.52 110.882 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -134.19 146.0 49.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.478 . . . . 72.25 110.894 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.3 p -165.76 169.75 14.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 55.12 110.8 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.687 ' HB3' HG11 ' A' ' 24' ' ' VAL . 2.1 m -93.3 122.33 35.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 73.21 110.909 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.566 ' O ' HG13 ' A' ' 24' ' ' VAL . 33.2 m -131.94 152.3 80.01 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.604 0.716 . . . . 73.22 111.178 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -41.63 4.15 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.673 2.248 . . . . 51.34 112.319 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.1 mtp-105 -134.24 124.66 26.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 75.35 110.899 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 53.3 t . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 41.32 110.92 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 89.9 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.954 0.407 . . . . 52.14 110.845 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.63 118.18 15.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.498 . . . . 54.35 111.133 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 29' ' ' THR . 38.3 m -103.89 137.84 41.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 75.31 111.141 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.1 t -124.64 154.73 40.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 64.45 110.839 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 6.1 m -137.17 147.15 45.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 74.21 110.883 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.4 p -156.06 171.8 19.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 74.11 110.904 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -128.75 13.44 6.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 64.44 110.928 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.429 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 19.7 t80 -96.25 146.37 24.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 72.14 110.92 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -56.2 130.85 46.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 74.54 110.912 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 30.8 mt 48.35 34.11 4.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 63.31 110.912 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 28.7 p -65.51 -29.76 70.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 33.42 110.887 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 51.1 p-10 -93.48 25.46 3.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 65.13 110.911 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 72.34 112.48 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 30.6 tp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.821 0.343 . . . . 51.31 110.909 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -107.69 131.2 54.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 44.4 110.901 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.6 m -145.71 157.92 43.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 72.35 110.925 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -82.98 104.33 13.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 71.43 110.845 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 51.1 t -99.49 106.67 19.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 51.54 111.128 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.9 p -174.9 164.88 3.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 73.23 110.91 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -141.62 128.01 19.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 62.51 111.093 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -144.79 146.97 32.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 75.0 110.922 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -87.63 65.3 8.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 74.03 110.896 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.39 -143.91 3.85 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 75.41 112.479 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -60.96 -76.4 0.05 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.817 0.341 . . . . 72.02 110.848 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.756 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -167.69 118.6 0.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.848 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.7 p -76.68 150.68 36.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 74.42 110.9 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -114.36 120.72 41.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 73.43 110.87 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -163.03 86.01 1.37 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.59 0.71 . . . . 74.31 110.896 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 115.2 3.98 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.739 2.293 . . . . 64.42 112.358 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.2 ttm -126.43 141.17 51.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 51.23 110.903 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -75.89 127.94 34.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 71.34 110.881 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.472 ' HB3' ' HB ' ' A' ' 24' ' ' VAL . 20.2 m -78.16 155.92 79.44 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.616 0.722 . . . . 63.11 110.854 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.462 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.6 Cg_endo -69.81 -169.43 0.33 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.693 2.262 . . . . 62.31 112.312 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.68 27.41 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 62.4 111.104 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -130.13 -21.6 2.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 75.24 110.93 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.615 HG11 ' HB3' ' A' ' 45' ' ' CYS . 14.8 t -95.32 140.9 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 74.42 111.139 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -138.9 9.4 2.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 74.24 111.1 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -147.04 155.07 41.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.262 -0.426 . . . . 63.04 110.93 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.8 m -104.91 142.29 35.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 60.03 110.906 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 21.8 ttm -117.09 142.38 47.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 74.32 110.859 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 87.8 m -145.6 104.34 3.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 72.13 111.132 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.0 m -101.9 99.43 9.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 72.02 111.129 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -97.94 101.16 12.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 73.52 110.9 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.7 m -88.71 156.32 19.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 45.42 111.14 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -133.86 102.62 5.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 74.45 110.923 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -84.83 -66.4 0.9 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 64.31 110.93 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.534 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -117.9 161.05 36.29 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.579 0.704 . . . . 75.23 111.104 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.534 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.5 Cg_endo -69.74 -4.98 15.1 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.716 2.277 . . . . 73.02 112.342 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.4 p -122.94 -4.1 8.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 73.52 111.135 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -145.11 133.44 21.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 75.32 110.887 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 8.8 ptm -138.85 176.09 9.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 72.24 110.863 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -145.32 151.24 38.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 74.33 110.874 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.756 HG11 ' HA ' ' A' ' 13' ' ' ASN . 11.8 p -136.83 153.05 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 75.2 111.136 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.39 112.86 4.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 75.54 110.876 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.449 ' HE2' HG21 ' A' ' 41' ' ' VAL . 21.0 mttm -121.54 147.52 45.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 75.34 110.879 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 62.1 p -164.95 178.88 6.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 73.54 110.862 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.615 ' HB3' HG11 ' A' ' 24' ' ' VAL . 21.4 m -99.28 133.07 44.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.9 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.525 ' O ' HG13 ' A' ' 24' ' ' VAL . 34.9 m -148.49 152.14 37.78 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.64 0.733 . . . . 75.03 111.149 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -47.29 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.645 2.23 . . . . 75.24 112.373 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 31.8 mtm180 -134.44 119.49 18.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 74.12 110.881 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 15.8 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 75.43 110.877 -179.953 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.5 p . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.941 0.401 . . . . 70.2 110.866 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.2 m -131.39 104.48 7.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 75.51 111.136 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 80.6 m -94.15 109.75 21.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 71.41 111.163 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.9 t -95.96 146.07 24.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 62.33 110.84 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.2 m -135.37 141.29 45.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.509 . . . . 72.41 110.875 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -149.0 179.68 7.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 71.51 110.902 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -134.37 8.81 3.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 55.0 110.923 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -96.09 147.24 23.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 74.22 110.891 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -59.3 133.52 56.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 74.53 110.844 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 29.0 mt 49.14 32.58 4.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 73.01 110.868 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.7 p -65.59 -29.78 70.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 72.11 110.912 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.5 p-10 -93.96 25.56 3.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 74.01 110.866 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.725 -0.75 . . . . 51.05 112.467 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.2 ptt? . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.828 0.347 . . . . 74.32 110.902 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.4 tp -151.23 148.77 28.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 64.44 110.929 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.12 129.81 56.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 54.32 110.901 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 15.8 m -138.15 165.49 26.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 63.34 110.909 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -84.02 111.71 19.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 74.05 110.843 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.499 HG22 ' HA ' ' A' ' 44' ' ' SER . 69.8 t -108.61 105.57 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 70.43 111.119 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.6 p -175.29 178.51 1.67 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 63.43 110.898 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -151.95 133.88 14.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 63.11 111.087 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -146.95 153.29 39.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 73.34 110.938 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -95.06 63.38 2.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 73.23 110.864 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.95 -136.15 1.94 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 71.44 112.467 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -65.88 -76.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 75.31 110.866 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.733 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -166.78 124.3 1.31 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 74.24 110.937 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.0 p -75.83 167.67 21.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 74.32 110.87 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -132.26 118.36 19.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 65.14 110.907 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -160.85 83.14 2.0 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.605 0.717 . . . . 64.13 110.876 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 117.72 5.26 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.685 2.257 . . . . 64.33 112.345 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.9 tpp -139.04 134.35 32.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 64.42 110.917 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 -70.59 134.08 47.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 71.15 110.845 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.487 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 4.6 m -76.05 157.27 83.54 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.65 0.738 . . . . 72.32 110.85 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.487 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.0 Cg_endo -69.75 177.46 5.55 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.674 2.249 . . . . 70.54 112.336 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.47 54.37 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 44.03 111.138 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.5 ptm -157.88 -38.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 74.35 110.93 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.653 HG11 ' HB3' ' A' ' 45' ' ' CYS . 37.8 t -84.29 147.24 5.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 73.41 111.155 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -147.8 30.18 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 44.13 111.113 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -158.71 150.2 20.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 74.02 110.896 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.5 m -104.64 136.52 44.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.509 . . . . 70.55 110.878 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 12.0 ttt -117.25 142.05 47.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 61.21 110.904 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 94.8 m -145.7 110.99 5.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 60.31 111.133 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.3 m -106.26 102.66 12.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 74.53 111.181 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -97.3 103.79 15.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 61.51 110.891 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.586 HG23 ' OG ' ' A' ' 62' ' ' SER . 1.3 m -92.39 160.8 14.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 73.53 111.188 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -138.78 105.27 5.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 72.2 110.956 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -86.55 -65.14 1.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 72.42 110.961 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.563 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -124.19 161.98 44.35 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.58 0.705 . . . . 63.41 111.119 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.563 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.1 Cg_endo -69.8 -3.34 11.83 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.672 2.248 . . . . 44.25 112.319 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 66.5 p -119.61 -7.46 10.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 75.42 111.157 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 50.5 mtm180 -146.89 134.1 20.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 73.51 110.846 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -134.26 170.43 15.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 74.13 110.869 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -137.84 144.3 41.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 61.45 110.896 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.733 HG11 ' HA ' ' A' ' 13' ' ' ASN . 12.9 p -139.06 150.48 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 62.22 111.144 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.44 130.68 16.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 75.13 110.896 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.3 mttm -135.14 144.4 47.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 74.23 110.874 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.499 ' HA ' HG22 ' A' ' 6' ' ' VAL . 5.1 p -165.39 178.55 6.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 64.52 110.877 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.653 ' HB3' HG11 ' A' ' 24' ' ' VAL . 3.8 m -100.64 122.67 43.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 55.42 110.872 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.479 ' O ' HG13 ' A' ' 24' ' ' VAL . 33.3 m -136.12 152.91 76.27 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.616 0.722 . . . . 74.31 111.13 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -44.66 1.95 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.727 2.285 . . . . 71.33 112.305 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -133.96 126.21 29.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 74.51 110.838 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.9 t -125.48 128.54 48.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 73.05 110.859 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -104.93 152.96 22.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 64.55 110.919 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -85.35 124.13 31.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 75.22 110.857 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.3 p -87.97 105.43 17.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 71.4 111.143 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.2 m -105.86 136.42 40.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 73.14 111.117 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -145.95 118.61 8.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 74.23 110.861 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -165.41 76.28 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 73.52 110.836 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -175.39 -69.33 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.784 -0.722 . . . . 71.33 112.536 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -134.2 -36.35 0.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.941 0.401 . . . . 75.01 110.93 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.81 169.09 15.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 62.25 110.838 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.61 125.73 29.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 70.03 110.949 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 56.2 p-80 -106.67 28.28 8.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 72.41 110.827 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.37 15.64 8.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 63.4 111.092 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.586 ' OG ' HG23 ' A' ' 32' ' ' THR . 23.4 m -139.23 140.99 37.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.428 . . . . 64.2 110.909 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.1 p -143.97 114.27 7.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 51.02 111.116 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 28.7 m -94.73 126.31 39.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 72.15 111.13 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.1 m -109.21 149.11 29.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.452 . . . . 71.01 110.846 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 2.8 m -136.07 144.25 45.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 70.4 110.873 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.3 p -156.61 170.39 22.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 74.45 110.864 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -127.35 12.83 7.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 74.45 110.888 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.415 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 16.6 t80 -96.08 145.01 25.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 71.24 110.914 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -56.19 130.35 43.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 70.34 110.861 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.8 mt 50.02 33.62 7.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 74.11 110.936 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.415 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 28.0 p -65.61 -29.63 70.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 72.3 110.861 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 50.5 p-10 -93.58 25.8 3.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 74.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 71.03 112.493 180.0 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 mtm . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.814 0.34 . . . . 75.54 110.877 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 25.5 tp -154.85 148.87 25.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 65.33 110.928 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.37 139.96 53.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 74.42 110.882 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m -155.19 172.46 18.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 72.31 110.819 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -84.01 112.12 19.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 65.42 110.846 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.479 HG13 ' HA ' ' A' ' 44' ' ' SER . 97.4 t -109.86 105.84 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 63.33 111.126 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.6 p -176.32 -177.75 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 45.4 110.921 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -153.95 132.14 11.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 75.22 111.075 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -145.13 150.89 37.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 65.11 110.937 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -91.19 64.21 5.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 72.32 110.884 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.74 -134.74 1.69 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.733 -0.746 . . . . 70.45 112.5 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -70.07 -75.5 0.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.799 0.333 . . . . 72.53 110.901 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.771 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -165.23 122.51 1.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 72.11 110.861 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.6 p -76.6 153.61 35.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 73.32 110.936 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -119.29 117.51 28.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 72.42 110.883 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -161.33 85.64 1.72 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.671 0.748 . . . . 70.15 110.9 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 124.97 11.6 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.615 2.21 . . . . 73.44 112.362 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -145.42 137.41 25.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 63.02 110.815 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -75.37 132.22 40.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 72.01 110.884 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.474 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 6.6 m -75.01 156.45 86.09 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.736 . . . . 64.23 110.874 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.474 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.7 Cg_endo -69.75 -175.28 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.621 2.214 . . . . 61.44 112.349 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.52 50.22 1.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 53.44 111.134 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.0 ptt? -152.25 -36.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 74.44 110.882 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.575 HG11 ' HB3' ' A' ' 45' ' ' CYS . 41.3 t -80.87 148.21 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 70.55 111.102 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -146.36 20.46 1.37 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 71.55 111.106 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -157.67 147.26 20.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 74.11 110.926 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 5.4 m -104.29 125.62 50.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 74.11 110.884 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 13.5 ttm -101.47 139.67 36.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 73.15 110.871 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 97.7 m -140.23 113.01 8.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 72.53 111.114 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.436 HG23 ' OG1' ' A' ' 64' ' ' THR . 1.0 OUTLIER -112.63 99.58 8.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 61.03 111.134 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -96.08 96.93 9.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 73.22 110.855 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.1 m -92.16 142.58 27.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 42.11 111.169 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -145.69 127.84 15.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 73.24 110.936 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -106.45 -41.21 5.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 64.04 110.925 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.564 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -133.23 161.63 62.61 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.518 0.675 . . . . 71.22 111.189 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.564 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.6 Cg_endo -69.75 -4.53 14.21 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.704 2.27 . . . . 63.44 112.302 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.0 p -124.91 -2.81 7.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 64.31 111.137 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -140.77 114.31 8.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 74.14 110.874 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.99 172.67 12.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 73.14 110.929 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -150.64 148.13 28.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 74.33 110.922 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.771 HG11 ' HA ' ' A' ' 13' ' ' ASN . 10.7 p -131.9 154.27 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 74.14 111.178 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.2 p -147.88 127.34 13.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 73.2 110.882 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.441 ' HE2' HG21 ' A' ' 41' ' ' VAL . 25.5 mttm -134.73 138.93 44.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 73.24 110.885 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.479 ' HA ' HG13 ' A' ' 6' ' ' VAL . 53.2 p -158.39 173.33 16.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 23.3 110.858 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.575 ' HB3' HG11 ' A' ' 24' ' ' VAL . 1.7 m -103.37 121.48 42.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 71.13 110.881 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.43 ' O ' HG13 ' A' ' 24' ' ' VAL . 32.8 m -140.6 151.8 64.46 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.666 0.746 . . . . 62.42 111.131 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -47.13 0.99 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.683 2.255 . . . . 74.44 112.319 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 -106.22 141.54 37.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.422 . . . . 71.4 110.867 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 18.6 t -84.27 142.03 30.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 61.44 110.857 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -130.28 84.97 2.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 65.35 110.853 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -67.0 178.38 1.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 53.52 110.913 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 13.4 t -74.26 145.71 43.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 74.1 111.158 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.7 p -150.03 148.66 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 73.34 111.165 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -145.97 171.83 14.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 73.2 110.927 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -154.48 75.41 0.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 73.22 110.845 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -166.56 -83.14 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.74 . . . . 74.55 112.475 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -135.26 -77.54 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.899 0.381 . . . . 74.02 110.93 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.4 p -158.08 129.1 6.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 63.04 110.851 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -150.32 93.52 2.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 72.1 110.894 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -104.7 33.07 3.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 74.0 110.862 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.14 13.66 9.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 45.33 111.108 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -155.29 123.86 6.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 64.25 110.855 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -116.23 99.39 7.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 71.53 111.156 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.436 ' OG1' HG23 ' A' ' 30' ' ' THR . 4.1 m -98.21 121.47 40.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 73.42 111.152 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.6 m -135.78 143.98 45.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 52.11 110.892 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 27' ' ' CYS . 8.0 m -120.89 172.51 7.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 74.41 110.858 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -164.11 179.48 6.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 71.3 110.897 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -133.32 10.86 4.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 52.23 110.891 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.407 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 24.3 t80 -96.53 147.18 24.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 74.33 110.931 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -57.98 132.42 53.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.12 -0.491 . . . . 61.24 110.863 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.0 mt 48.81 32.97 3.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 75.02 110.918 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.407 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 29.4 p -66.29 -28.22 68.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 70.34 110.863 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 51.9 p-10 -93.74 26.67 3.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 52.52 110.901 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.779 -0.724 . . . . 72.42 112.479 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.6 tpp . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.8 0.334 . . . . 64.24 110.897 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 21.0 tp -155.06 149.28 26.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 64.41 110.929 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -119.86 130.67 54.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 72.43 110.92 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.4 m -139.44 167.43 22.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 74.31 110.842 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -84.05 112.5 20.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 73.31 110.87 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.477 HG22 ' HA ' ' A' ' 44' ' ' SER . 93.8 t -109.53 105.05 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 62.32 111.13 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.1 p -176.78 163.49 2.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 54.42 110.914 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -136.0 130.4 33.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 62.0 111.092 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -144.75 148.37 34.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 65.54 110.907 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.401 ' HA ' ' HA ' ' A' ' 40' ' ' LYS . 5.2 m-20 -95.44 63.66 2.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 73.25 110.889 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.52 -139.53 2.66 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 25.34 112.481 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -61.57 -77.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 73.11 110.867 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.811 ' HA ' HG11 ' A' ' 41' ' ' VAL . 5.4 m-80 -166.01 125.15 1.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 72.11 110.913 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.9 p -77.33 166.84 22.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 32.21 110.88 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -136.29 117.46 14.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 71.44 110.869 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -160.94 83.42 1.95 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.615 0.721 . . . . 73.35 110.886 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 113.47 3.38 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.682 2.254 . . . . 72.33 112.375 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 35.0 tpp -135.14 134.49 40.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 75.22 110.868 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 -71.46 134.86 46.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 75.45 110.886 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.531 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 4.6 m -76.86 158.45 80.46 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.639 0.733 . . . . 74.52 110.869 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.531 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.4 Cg_endo -69.74 177.46 5.54 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.684 2.256 . . . . 41.42 112.365 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.05 53.62 1.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 75.21 111.138 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.431 ' HG2' ' HG2' ' A' ' 21' ' ' PRO . 9.5 ptp -157.74 -35.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 73.23 110.938 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.722 HG11 ' HB3' ' A' ' 45' ' ' CYS . 39.3 t -87.92 142.52 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 50.41 111.091 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -144.23 33.61 1.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 75.24 111.12 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -160.28 147.33 15.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 73.23 110.883 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.5 m -104.09 136.1 44.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 71.55 110.869 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.7 ttt -114.8 143.74 44.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 72.24 110.836 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 99.3 m -145.34 108.44 4.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 71.14 111.101 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.6 m -105.09 99.06 8.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 64.5 111.136 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -98.14 104.43 16.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 72.33 110.921 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.589 HG23 ' OG ' ' A' ' 62' ' ' SER . 24.4 m -92.75 153.48 18.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 74.31 111.143 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -133.15 101.37 5.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 73.21 110.919 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -84.25 -68.84 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 75.34 110.953 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.533 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -115.12 160.68 33.0 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.55 0.691 . . . . 63.4 111.153 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.533 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.7 Cg_endo -69.82 -4.56 14.32 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.666 2.244 . . . . 73.01 112.392 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 69.2 p -124.07 -3.67 8.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 62.13 111.162 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.4 mtp85 -145.18 128.12 16.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 74.12 110.901 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 6.4 ptp -139.54 170.08 16.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 63.1 110.872 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 10' ' ' ASN . 21.2 ttpp -140.18 155.97 46.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 64.04 110.896 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.811 HG11 ' HA ' ' A' ' 13' ' ' ASN . 12.6 p -144.98 149.39 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 42.43 111.099 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 p -144.22 127.58 16.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 72.44 110.864 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -130.32 145.82 51.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 61.23 110.874 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.477 ' HA ' HG22 ' A' ' 6' ' ' VAL . 75.9 p -166.13 174.21 9.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 74.21 110.865 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.722 ' HB3' HG11 ' A' ' 24' ' ' VAL . 7.4 m -96.99 122.0 39.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 73.14 110.865 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.537 ' O ' HG13 ' A' ' 24' ' ' VAL . 33.8 m -131.89 152.85 81.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.654 0.74 . . . . 63.41 111.137 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -47.13 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.66 2.24 . . . . 71.11 112.349 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 46.7 mmt-85 -134.23 119.68 19.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 75.53 110.922 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 32.7 t -119.68 127.37 52.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 72.33 110.906 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -108.72 132.63 53.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 74.31 110.85 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -65.07 158.22 26.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 74.51 110.894 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 41.0 m -74.65 124.98 27.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 63.44 111.164 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 23.0 m -99.82 145.71 10.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 60.15 111.146 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -153.59 162.39 41.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 72.42 110.912 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -163.7 83.3 0.46 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.091 -0.504 . . . . 72.44 110.891 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -164.16 -80.87 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.788 -0.72 . . . . 73.21 112.55 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -138.52 -76.59 0.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.896 0.379 . . . . 63.45 110.881 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.7 m -157.65 109.84 2.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 72.35 110.812 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.44 91.17 7.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 75.04 110.919 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 44.3 p-80 -96.13 31.46 2.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 75.12 110.825 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.88 -75.57 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 65.15 111.136 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.589 ' OG ' HG23 ' A' ' 32' ' ' THR . 26.0 m -136.16 142.04 44.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 70.21 110.822 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.4 118.94 21.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 64.02 111.13 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.3 m -94.89 111.21 23.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 75.12 111.148 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.7 m -96.91 137.39 36.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 71.25 110.813 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.6 m -128.16 139.83 52.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 75.1 110.878 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.4 p -154.98 169.83 23.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 60.32 110.89 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -127.18 13.14 7.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 72.41 110.951 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.425 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 17.2 t80 -95.92 145.7 25.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 74.45 110.924 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -56.57 130.92 47.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 74.22 110.902 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 31.5 mt 49.06 33.53 4.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 75.53 110.866 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.425 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 28.8 p -65.38 -28.73 69.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 63.35 110.906 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 51.0 p-10 -93.79 25.66 3.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 73.11 110.857 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.692 -0.766 . . . . 72.31 112.495 179.975 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.9 mtt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.86 0.362 . . . . 63.24 110.896 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.6 tp -97.75 148.46 23.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 62.51 110.921 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.64 137.63 54.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 63.13 110.835 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 29.7 m -143.13 161.51 38.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 72.12 110.869 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -84.29 111.49 19.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 75.5 110.868 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.509 HG22 ' HA ' ' A' ' 44' ' ' SER . 21.7 t -108.21 110.17 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 72.32 111.126 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.7 p -178.64 -176.92 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 54.15 110.894 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -153.61 132.47 12.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 63.42 111.126 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -144.41 153.9 42.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 74.33 110.88 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.409 ' HA ' ' HA ' ' A' ' 40' ' ' LYS . 6.9 m-20 -95.5 75.73 3.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 72.41 110.908 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 178.43 -139.71 4.22 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 54.2 112.469 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -57.78 -76.67 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.851 0.358 . . . . 71.12 110.895 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.703 ' OD1' HG21 ' A' ' 41' ' ' VAL . 13.3 m-80 -166.96 132.94 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 74.42 110.914 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.9 p -76.46 171.2 15.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 74.11 110.9 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -138.32 114.11 9.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 73.24 110.931 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -161.62 80.62 2.0 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.582 0.706 . . . . 54.22 110.872 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.503 ' HB3' HD22 ' A' ' 71' ' ' LEU . 54.1 Cg_endo -69.69 115.6 4.16 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.69 2.26 . . . . 70.11 112.364 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 47.6 mmm -129.04 144.43 51.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 74.02 110.897 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -75.59 127.7 33.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 72.41 110.868 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.478 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 17.0 m -76.43 156.28 83.43 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.586 0.707 . . . . 72.31 110.902 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.478 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.6 Cg_endo -69.73 -173.42 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.649 2.232 . . . . 72.43 112.411 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.0 52.97 2.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 55.5 111.094 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.6 ptm -156.66 -36.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 64.44 110.881 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.626 HG11 ' HB3' ' A' ' 45' ' ' CYS . 9.4 t -79.91 139.32 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 64.11 111.136 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.31 7.81 2.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 73.42 111.097 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -145.31 154.3 42.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.231 -0.44 . . . . 73.1 110.934 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.7 m -103.95 141.44 36.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 62.53 110.879 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.2 ttt -116.26 138.34 51.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 64.01 110.834 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 67.8 m -142.71 110.34 5.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 51.02 111.134 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 54.2 m -106.94 99.95 9.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 43.15 111.129 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -98.1 99.44 10.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 71.41 110.891 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 48.0 m -94.35 150.86 19.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 75.34 111.143 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -134.81 106.2 6.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 75.53 110.919 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -84.66 -63.2 1.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 73.44 110.892 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.511 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -115.97 160.21 36.23 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.615 0.721 . . . . 72.24 111.137 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.511 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.5 Cg_endo -69.82 -3.49 12.15 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.622 2.215 . . . . 64.14 112.329 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.7 p -126.28 -1.82 6.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 72.1 111.133 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.9 mtp-105 -146.44 133.47 20.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 71.15 110.855 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 7.9 ptp -146.5 178.08 8.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 74.1 110.895 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 10' ' ' ASN . 0.2 OUTLIER -152.68 136.54 16.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 71.35 110.902 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.703 HG21 ' OD1' ' A' ' 13' ' ' ASN . 12.6 p -126.88 146.15 33.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 75.12 111.099 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 p -139.11 133.57 31.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 75.03 110.869 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -136.25 147.03 47.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 44.33 110.896 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.509 ' HA ' HG22 ' A' ' 6' ' ' VAL . 27.1 p -165.99 175.63 8.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 71.31 110.822 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.626 ' HB3' HG11 ' A' ' 24' ' ' VAL . 11.0 m -93.9 136.95 33.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.071 -0.513 . . . . 34.43 110.91 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.533 ' O ' HG13 ' A' ' 24' ' ' VAL . 34.3 m -150.11 152.26 33.44 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.718 . . . . 73.51 111.153 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -48.07 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 54.54 112.338 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 27.9 mtp180 -134.75 121.92 21.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 71.31 110.933 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 29.7 t -125.21 134.78 52.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 63.2 110.885 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -119.61 153.19 35.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 73.42 110.887 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -65.05 159.96 22.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 62.54 110.909 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.555 HG23 ' CB ' ' A' ' 64' ' ' THR . 0.7 OUTLIER -74.25 143.97 44.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 52.2 111.141 -179.915 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.423 HG22 ' N ' ' A' ' 54' ' ' TYR . 7.7 p -135.46 160.77 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 75.32 111.138 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.423 ' N ' HG22 ' A' ' 53' ' ' VAL . 12.4 m-85 -143.93 176.49 9.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 73.41 110.91 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -161.55 80.68 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.505 . . . . 73.53 110.836 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -164.9 -84.91 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 72.32 112.476 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -140.98 -76.05 0.31 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.909 0.385 . . . . 64.01 110.909 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.8 m -156.05 110.53 2.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 72.14 110.875 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.7 mtmm -145.22 87.54 1.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 74.4 110.874 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 20.6 p80 -105.3 37.32 2.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 54.1 110.868 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.4 7.76 24.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 52.11 111.1 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.3 p -155.69 123.32 5.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 72.44 110.869 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.82 107.82 9.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 55.1 111.118 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.555 ' CB ' HG23 ' A' ' 52' ' ' THR . 98.3 m -95.29 118.54 32.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 62.31 111.173 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.4 p -106.4 148.89 27.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 41.01 110.847 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.9 m -137.6 144.72 42.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 74.04 110.912 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -148.78 177.0 9.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 51.44 110.862 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -130.18 8.26 5.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 71.33 110.927 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -95.8 147.3 23.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 64.12 110.912 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -61.14 134.54 57.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 70.04 110.823 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.503 HD22 ' HB3' ' A' ' 17' ' ' PRO . 15.7 mt 49.99 31.09 4.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 63.23 110.9 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.3 p -65.33 -30.43 71.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 64.5 110.842 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 51.1 p-10 -94.69 25.6 3.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 54.42 110.902 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 54.3 112.491 179.97 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 tpt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.779 0.324 . . . . 63.24 110.897 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.5 tp -142.59 147.42 35.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 74.45 110.895 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -122.61 135.17 54.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 71.11 110.867 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.5 m -139.93 165.31 27.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 44.22 110.837 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -82.99 113.87 20.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 71.31 110.836 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.461 HG22 ' HA ' ' A' ' 44' ' ' SER . 77.1 t -109.15 103.76 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 75.12 111.126 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.6 p -176.05 166.21 2.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 55.31 110.856 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -141.9 131.01 23.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 70.13 111.115 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -144.75 149.94 36.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 73.0 110.949 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -92.0 64.08 4.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 74.25 110.865 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.03 -135.29 1.79 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 63.02 112.46 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -67.22 -78.52 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.824 0.345 . . . . 53.24 110.87 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.801 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.4 OUTLIER -168.08 120.74 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 71.13 110.892 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.1 p -77.23 160.18 29.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 74.43 110.847 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -122.26 121.5 36.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 62.51 110.879 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -162.77 87.82 1.35 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.564 0.697 . . . . 64.04 110.874 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 121.23 7.92 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.654 2.236 . . . . 60.21 112.309 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -132.8 132.64 42.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 73.22 110.863 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -74.59 122.24 22.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 73.21 110.886 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.445 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 4.7 m -72.64 156.28 90.23 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.66 0.743 . . . . 74.25 110.889 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.445 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.1 Cg_endo -69.71 -167.81 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.702 2.268 . . . . 43.42 112.343 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.16 39.91 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 75.2 111.096 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 17.3 ptm -141.28 -31.18 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 61.11 110.895 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.593 HG11 ' HB3' ' A' ' 45' ' ' CYS . 6.1 t -88.81 139.6 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 71.52 111.096 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -138.98 10.83 2.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 65.45 111.113 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -145.16 151.32 38.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 72.21 110.917 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.2 m -104.35 139.72 38.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 72.13 110.905 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.8 ttp -115.29 140.01 49.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 64.22 110.886 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 85.8 m -144.26 110.21 5.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 72.21 111.168 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.2 m -108.4 100.99 10.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 64.01 111.11 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -97.26 97.57 9.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 74.45 110.869 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.0 m -81.34 159.18 24.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 42.25 111.146 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -133.85 105.73 6.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 62.54 110.907 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -91.65 -75.1 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 74.54 110.96 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.527 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -111.09 160.63 28.29 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.633 0.73 . . . . 74.15 111.13 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.527 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.6 Cg_endo -69.78 -4.56 14.28 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.69 2.26 . . . . 52.34 112.345 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.1 p -123.52 -4.69 8.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 73.33 111.19 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.4 mmt-85 -145.84 123.58 11.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 75.24 110.85 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 4.3 ptp -126.73 174.06 9.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 60.01 110.916 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -137.66 147.96 45.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 61.41 110.906 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.801 HG11 ' HA ' ' A' ' 13' ' ' ASN . 9.3 p -140.57 147.43 23.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 65.43 111.17 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -145.33 130.05 18.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 73.14 110.88 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -135.07 145.32 47.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 62.04 110.862 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.461 ' HA ' HG22 ' A' ' 6' ' ' VAL . 2.4 p -165.24 177.6 7.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 64.24 110.83 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.593 ' HB3' HG11 ' A' ' 24' ' ' VAL . 4.0 m -99.94 135.62 41.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 53.34 110.902 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.509 ' O ' HG13 ' A' ' 24' ' ' VAL . 34.2 m -150.05 152.0 33.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.604 0.716 . . . . 72.42 111.154 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.403 ' HB2' ' HD2' ' A' ' 48' ' ' ARG . 53.4 Cg_endo -69.84 -46.19 1.28 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.65 2.233 . . . . 75.23 112.34 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.403 ' HD2' ' HB2' ' A' ' 47' ' ' PRO . 0.3 OUTLIER -133.7 127.69 33.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.888 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.4 t -130.03 129.73 44.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 74.3 110.888 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -114.59 147.96 38.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 65.43 110.883 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -65.0 164.13 13.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 73.52 110.876 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.86 146.92 41.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 73.32 111.115 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.417 HG12 ' N ' ' A' ' 54' ' ' TYR . 5.8 t -95.02 158.7 2.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 74.43 111.112 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.417 ' N ' HG12 ' A' ' 53' ' ' VAL . 5.6 t80 -143.98 98.96 3.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 71.45 110.9 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -148.7 70.13 1.11 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 62.21 110.881 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -164.74 -93.63 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 23.24 112.475 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -136.78 -43.45 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.93 0.395 . . . . 74.32 110.943 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -165.96 83.63 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 71.32 110.855 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -95.76 27.3 3.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 73.41 110.909 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -95.64 29.44 2.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 63.51 110.825 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.16 -8.65 57.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 60.1 111.097 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t -156.44 125.32 5.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 74.24 110.897 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.2 m -107.63 109.8 21.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 73.33 111.141 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.4 m -94.76 106.53 18.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 55.02 111.158 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.95 140.75 31.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 75.14 110.834 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.0 m -130.61 139.77 50.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 70.11 110.866 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -147.24 178.1 8.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 72.54 110.887 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -131.58 7.82 4.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 72.42 110.905 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -96.1 147.79 23.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 64.42 110.943 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -61.45 134.9 57.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 71.51 110.899 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 37.2 mt 50.05 30.59 4.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 70.25 110.897 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.2 p -65.4 -27.7 68.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 64.13 110.881 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 49.7 p-10 -93.15 26.05 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 72.4 110.924 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 71.01 112.513 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.815 0.341 . . . . 73.51 110.903 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 15.1 tp -153.33 148.34 26.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 63.14 110.893 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -118.5 132.58 56.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.469 . . . . 64.33 110.892 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 15.0 m -138.44 164.55 29.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 63.42 110.892 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -83.89 112.42 20.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 75.52 110.876 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.504 HG22 ' HA ' ' A' ' 44' ' ' SER . 73.6 t -110.46 106.97 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 74.33 111.142 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.0 p -175.92 -177.82 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 61.44 110.852 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -155.19 134.55 12.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 64.13 111.075 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.441 ' O ' HG12 ' A' ' 41' ' ' VAL . 66.5 t80 -149.45 151.04 33.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 75.12 110.948 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -93.05 66.07 4.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 73.01 110.927 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.75 -138.89 2.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 72.34 112.537 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -64.03 -74.32 0.1 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.823 0.344 . . . . 72.24 110.89 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.7 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -166.61 125.69 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 74.42 110.85 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.0 p -75.94 165.84 24.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.919 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -133.31 117.78 17.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 65.52 110.902 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -160.85 83.93 1.94 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.597 0.713 . . . . 73.35 110.889 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 116.0 4.36 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.668 2.245 . . . . 72.22 112.331 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 32.0 tpp -134.31 134.19 41.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 74.42 110.89 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 -71.44 130.02 40.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.833 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.501 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 4.9 m -76.19 157.81 82.64 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.626 0.726 . . . . 63.11 110.879 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.501 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.7 Cg_endo -69.83 -169.61 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.247 . . . . 71.53 112.288 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.14 41.64 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 70.44 111.099 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.4 ptp -143.84 -28.07 0.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 54.21 110.892 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.637 HG11 ' HB3' ' A' ' 45' ' ' CYS . 5.8 t -94.39 138.15 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 71.42 111.103 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.55 6.34 3.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 53.15 111.089 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -139.99 154.51 47.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 70.34 110.908 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.4 m -104.54 137.07 42.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 61.53 110.819 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.2 ttm -113.14 139.67 48.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 72.51 110.864 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.474 ' O ' HG23 ' A' ' 64' ' ' THR . 85.7 m -141.94 129.64 21.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 74.11 111.138 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.6 m -126.09 99.4 5.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 63.11 111.169 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -97.69 100.23 11.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 65.32 110.859 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.404 HG21 ' CZ ' ' A' ' 34' ' ' TYR . 99.3 m -95.95 143.96 26.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 71.02 111.154 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -139.24 122.4 16.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 64.12 110.923 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.404 ' CZ ' HG21 ' A' ' 32' ' ' THR . 45.4 m-85 -105.02 -49.66 3.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 74.43 110.896 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.522 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -129.96 160.98 62.48 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.556 0.693 . . . . 74.25 111.169 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.522 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 54.0 Cg_endo -69.71 -5.39 16.06 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.672 2.248 . . . . 72.25 112.354 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.3 p -123.83 -1.7 8.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 74.34 111.135 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -143.98 115.53 8.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 73.01 110.856 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.4 ptp -132.78 167.65 19.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 63.52 110.91 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -142.78 138.89 30.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 71.24 110.894 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.7 HG11 ' HA ' ' A' ' 13' ' ' ASN . 7.3 p -133.58 151.3 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 73.5 111.169 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 p -152.67 132.12 12.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 73.13 110.879 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -135.45 149.28 49.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 62.45 110.878 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.504 ' HA ' HG22 ' A' ' 6' ' ' VAL . 86.1 p -165.62 175.71 8.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 74.22 110.892 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.637 ' HB3' HG11 ' A' ' 24' ' ' VAL . 1.8 m -98.66 137.67 36.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 62.31 110.858 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.558 ' O ' HG13 ' A' ' 24' ' ' VAL . 35.2 m -146.91 152.61 44.46 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.659 0.742 . . . . 74.05 111.108 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -42.86 3.02 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.696 2.264 . . . . 62.23 112.326 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -133.64 130.65 38.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 73.54 110.838 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 27.4 t -143.23 146.65 33.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 62.15 110.85 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.19 167.8 21.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 71.2 110.895 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -66.99 135.62 54.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 75.22 110.862 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 30.9 m -80.62 100.81 8.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.494 . . . . 50.03 111.208 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 29.2 t -83.85 90.42 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 73.13 111.119 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -146.77 91.43 2.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 72.33 110.918 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -168.1 96.56 0.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 75.52 110.92 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -162.16 -53.35 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.712 -0.756 . . . . 74.0 112.485 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -139.82 -39.21 0.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.379 . . . . 75.3 110.948 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.3 t -73.62 -178.13 2.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 65.15 110.895 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -74.25 109.26 7.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 65.44 110.928 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 29.6 p80 -105.35 39.23 1.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 74.03 110.832 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.54 37.7 0.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 52.32 111.106 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -155.8 127.21 7.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 54.33 110.847 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.47 133.23 54.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 61.43 111.163 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.474 HG23 ' O ' ' A' ' 29' ' ' THR . 23.3 m -112.34 134.83 53.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.438 . . . . 72.1 111.1 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.3 m -124.39 138.28 54.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.85 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.2 m -127.35 159.09 35.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 72.24 110.841 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -163.13 179.81 7.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 64.25 110.845 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -133.77 10.36 3.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 71.34 110.949 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -96.81 146.86 24.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 64.25 110.937 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -57.71 131.83 51.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 71.5 110.898 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 29.7 mt 49.82 32.86 5.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 70.42 110.898 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.1 p -65.66 -29.95 70.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 72.42 110.922 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 50.9 p-10 -93.06 25.67 3.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 71.24 110.941 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.738 . . . . 61.02 112.494 179.973 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.803 0.335 . . . . 73.13 110.865 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 53.0 tp -97.09 147.77 23.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 64.31 110.909 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -110.72 134.97 52.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 72.24 110.866 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m -156.25 171.89 19.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 75.14 110.861 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -83.7 109.59 17.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 63.5 110.885 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.411 HG22 ' HA ' ' A' ' 44' ' ' SER . 84.8 t -108.87 103.22 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 60.12 111.101 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.6 p -170.41 -178.13 2.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 64.33 110.873 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -153.13 134.25 14.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 74.2 111.084 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -148.27 150.93 34.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 71.04 110.925 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -95.81 63.79 2.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 73.02 110.853 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.81 -134.76 1.7 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 71.15 112.482 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -66.32 -79.5 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.828 0.346 . . . . 62.23 110.921 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.707 ' HA ' HG11 ' A' ' 41' ' ' VAL . 41.8 m-80 -160.29 125.12 3.83 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.172 -0.467 . . . . 73.14 110.868 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.9 p -77.1 159.21 29.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 62.44 110.863 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -130.7 118.01 20.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 74.12 110.896 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -163.31 85.22 1.35 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.638 0.732 . . . . 75.51 110.902 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 113.89 3.51 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.713 2.275 . . . . 64.41 112.376 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -136.9 142.55 42.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 63.24 110.887 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -77.21 136.3 38.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 74.22 110.883 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.486 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 5.7 m -76.32 156.88 83.38 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.637 0.732 . . . . 72.52 110.866 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.486 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.1 Cg_endo -69.73 171.79 13.79 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.741 2.294 . . . . 64.33 112.346 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.65 57.74 1.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 45.42 111.055 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.425 ' HG2' ' HG2' ' A' ' 21' ' ' PRO . 2.9 ptt? -157.85 -36.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 74.1 110.863 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.512 HG12 ' H ' ' A' ' 26' ' ' TYR . 12.2 t -93.79 155.33 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 72.23 111.116 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -151.31 28.69 0.65 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 73.35 111.09 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.512 ' H ' HG12 ' A' ' 24' ' ' VAL . 53.9 m-85 -152.17 142.76 22.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 63.31 110.92 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.3 m -104.94 127.97 53.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 71.42 110.941 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.9 ttp -115.99 140.73 48.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 61.02 110.871 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.448 HG23 ' HG2' ' A' ' 43' ' ' LYS . 55.2 m -138.44 115.37 10.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 73.11 111.107 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -104.05 98.93 8.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 43.31 111.16 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -95.87 98.81 10.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 71.03 110.841 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.419 HG21 ' CE2' ' A' ' 34' ' ' TYR . 90.3 m -85.87 142.52 28.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 65.42 111.142 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -135.64 105.83 6.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 71.24 110.893 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.419 ' CE2' HG21 ' A' ' 32' ' ' THR . 30.8 m-85 -97.64 -68.15 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 74.21 110.952 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.549 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -118.1 160.84 37.56 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.536 0.684 . . . . 75.51 111.162 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.549 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.7 Cg_endo -69.78 -3.99 13.13 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.648 2.232 . . . . 64.45 112.371 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 56.6 p -124.75 -2.93 7.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 63.32 111.155 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 42.7 mtt-85 -145.23 122.25 11.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 70.23 110.885 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.63 177.74 8.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 73.44 110.889 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -152.76 149.72 28.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 72.22 110.908 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.707 HG11 ' HA ' ' A' ' 13' ' ' ASN . 12.4 p -142.55 150.94 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 73.41 111.138 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.9 p -146.59 133.51 20.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 73.21 110.876 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.448 ' HG2' HG23 ' A' ' 29' ' ' THR . 34.0 mttm -135.97 133.11 37.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 73.04 110.867 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.411 ' HA ' HG22 ' A' ' 6' ' ' VAL . 4.9 p -166.44 165.05 17.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 52.02 110.821 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.454 ' HB3' HG11 ' A' ' 24' ' ' VAL . 91.1 m -86.77 121.24 29.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 61.2 110.904 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.481 ' C ' HG13 ' A' ' 24' ' ' VAL . 33.2 m -124.71 152.02 68.72 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.636 0.731 . . . . 70.12 111.114 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -48.81 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.663 2.242 . . . . 35.22 112.366 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 27.5 mmm-85 -107.4 146.99 30.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 75.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.5 t -84.48 135.64 34.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 71.12 110.84 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -123.68 73.09 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 75.33 110.854 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.45 169.22 3.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 73.21 110.891 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 52' ' ' THR . 5.8 t -72.85 122.08 21.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 70.22 111.166 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 85.7 t -149.66 87.35 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 71.14 111.124 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -144.59 145.09 31.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 74.51 110.904 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -166.97 93.31 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 62.2 110.858 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -161.74 -56.67 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.707 -0.758 . . . . 73.03 112.457 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -135.23 -79.27 0.44 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.893 0.377 . . . . 61.45 110.943 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.6 t -159.39 24.42 0.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 75.43 110.805 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.13 1.31 28.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 72.2 110.921 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -95.59 32.29 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 72.41 110.852 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.16 25.4 1.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 62.32 111.098 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 96.6 p -143.76 112.18 6.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 74.41 110.888 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.6 m -91.15 133.41 35.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 61.34 111.179 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.78 129.95 55.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 71.54 111.137 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.8 m -121.98 135.83 54.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 74.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 22.1 m -118.23 148.09 42.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 71.31 110.869 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 p -159.57 175.06 13.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 71.44 110.865 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -137.17 14.08 3.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 53.44 110.912 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.404 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 21.9 t80 -96.76 147.34 24.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 75.33 110.957 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -54.59 128.76 33.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 64.04 110.877 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.3 mt 49.03 35.36 6.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 53.22 110.951 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.404 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 28.0 p -65.5 -28.27 69.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 73.42 110.884 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.5 p-10 -94.85 25.57 4.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 72.33 110.885 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.745 -0.741 . . . . 74.25 112.481 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.3 mtt . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.804 0.335 . . . . 62.53 110.919 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 26.6 tp -143.95 149.52 36.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 70.5 110.882 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.6 128.23 50.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 72.33 110.848 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.6 m -137.75 164.28 29.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 63.41 110.917 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -83.1 102.17 11.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 73.02 110.891 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.491 HG22 ' HA ' ' A' ' 44' ' ' SER . 85.9 t -99.88 113.18 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 64.32 111.136 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.4 p -178.55 171.83 1.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 60.41 110.876 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -144.86 127.03 15.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 31.1 111.123 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -145.1 148.52 33.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 70.14 110.895 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -95.33 66.35 2.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 72.51 110.92 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.9 -138.59 2.44 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.69 -0.767 . . . . 63.23 112.485 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -62.56 -76.1 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.808 0.337 . . . . 70.34 110.911 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.743 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -165.74 125.67 1.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 74.51 110.923 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.5 p -77.1 159.88 29.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 73.14 110.864 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -132.29 116.28 16.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 74.15 110.899 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -162.36 87.51 1.44 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.663 0.744 . . . . 75.25 110.884 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 122.37 9.05 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 2.258 . . . . 71.2 112.341 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -142.4 133.26 25.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 75.54 110.87 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -74.91 135.31 41.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 73.11 110.875 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.473 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 3.8 m -76.13 157.05 83.65 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.616 0.722 . . . . 74.22 110.89 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.473 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.6 Cg_endo -69.81 -171.47 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.713 2.275 . . . . 74.1 112.338 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.28 48.93 1.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 54.33 111.116 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.6 ptm -153.27 -33.69 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 74.13 110.857 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.606 HG11 ' HB3' ' A' ' 45' ' ' CYS . 14.1 t -89.43 142.95 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 54.22 111.118 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -144.72 30.11 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 64.14 111.123 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -159.04 150.09 20.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 74.25 110.902 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.6 m -104.39 126.39 51.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 74.14 110.867 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.0 ttp -102.69 139.11 38.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 62.31 110.908 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.516 ' O ' HG23 ' A' ' 64' ' ' THR . 76.0 m -137.04 135.48 37.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 74.4 111.13 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.6 m -136.28 98.06 3.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 74.04 111.164 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -97.56 102.01 13.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 64.22 110.92 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.3 m -89.09 156.93 18.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 72.24 111.151 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -133.43 102.64 5.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 73.01 110.929 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -84.88 -66.94 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 65.43 110.912 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.529 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -116.62 160.58 35.83 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.524 0.678 . . . . 43.34 111.184 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.529 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.8 Cg_endo -69.84 -5.2 15.69 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.267 . . . . 74.23 112.356 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.2 p -123.02 -3.9 8.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 61.23 111.101 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 44.7 mtt85 -145.29 130.74 18.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 70.52 110.867 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.74 174.4 10.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 73.23 110.862 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -141.88 155.32 45.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 72.03 110.875 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.743 HG11 ' HA ' ' A' ' 13' ' ' ASN . 8.5 p -140.87 147.74 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 74.12 111.115 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.29 126.41 16.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 53.34 110.788 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.467 ' HE3' HG21 ' A' ' 41' ' ' VAL . 28.0 mttt -134.89 146.84 49.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 71.21 110.901 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.491 ' HA ' HG22 ' A' ' 6' ' ' VAL . 4.6 p -164.94 172.54 12.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 71.4 110.835 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.606 ' HB3' HG11 ' A' ' 24' ' ' VAL . 1.7 m -96.75 122.17 39.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 74.33 110.905 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.517 ' O ' HG13 ' A' ' 24' ' ' VAL . 19.0 m -135.92 152.1 75.11 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.618 0.723 . . . . 72.41 111.161 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -44.58 2.01 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.679 2.253 . . . . 55.21 112.38 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -134.66 115.79 14.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 71.14 110.893 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 13.5 t -111.5 140.13 46.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 53.44 110.893 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -125.02 141.75 51.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 55.11 110.859 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -64.99 171.01 3.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 73.3 110.914 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -74.98 125.33 28.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 71.34 111.092 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 29.5 m -105.16 146.33 12.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 74.24 111.166 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -155.81 -179.28 7.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.187 -0.46 . . . . 74.13 110.938 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -165.25 82.07 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 72.34 110.863 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -164.08 -87.46 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 63.32 112.441 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -136.09 -77.21 0.43 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.874 0.368 . . . . 72.12 110.956 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.0 m -154.97 86.38 1.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 62.22 110.844 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -88.91 87.72 7.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 72.22 110.877 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -99.43 31.71 3.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 65.23 110.869 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.57 -14.04 46.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 64.41 111.07 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 82.3 p -156.59 110.92 2.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 63.43 110.849 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 m -109.44 109.49 20.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.097 -0.501 . . . . 72.4 111.136 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 29' ' ' THR . 28.7 m -99.86 137.5 38.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 75.32 111.167 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.75 152.76 48.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 63.51 110.826 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.5 m -136.85 141.34 42.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 75.23 110.895 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.2 p -153.46 172.81 16.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 73.01 110.912 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -129.12 13.42 6.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 74.15 110.9 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.424 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 15.7 t80 -96.0 145.36 25.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 72.41 110.935 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -54.42 129.79 37.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 73.5 110.875 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.6 mt 47.77 35.69 4.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 72.02 110.968 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.424 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 28.0 p -66.37 -32.71 74.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 53.34 110.915 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 44.4 p-10 -83.6 -17.3 42.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 74.33 110.909 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.698 -0.763 . . . . 63.13 112.51 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.789 0.328 . . . . 72.12 110.876 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 13.3 tp -156.05 146.76 21.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 73.12 110.891 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.2 129.99 55.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 73.21 110.855 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.1 m -136.54 166.86 22.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 72.41 110.904 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -84.05 114.6 21.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 72.14 110.86 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.409 HG22 ' HA ' ' A' ' 44' ' ' SER . 86.8 t -112.93 104.56 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 64.51 111.114 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.8 p -177.73 -175.41 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 70.21 110.878 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -154.38 136.07 14.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 74.12 111.064 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -145.67 155.01 42.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 52.21 110.902 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.417 ' HA ' ' HA ' ' A' ' 40' ' ' LYS . 78.2 m-20 -95.2 64.13 2.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 75.31 110.875 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.82 -133.75 1.55 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 70.23 112.494 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -70.42 -72.85 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 64.25 110.802 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.782 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -165.04 127.87 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 72.11 110.903 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.2 p -76.06 166.37 23.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 65.25 110.928 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -130.98 113.9 14.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 73.21 110.872 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -159.32 83.58 2.37 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.586 0.708 . . . . 43.4 110.897 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 120.03 6.88 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.683 2.255 . . . . 71.44 112.36 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.2 tpt -139.62 133.34 30.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 73.1 110.908 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -69.06 131.05 44.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 75.43 110.88 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.48 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 5.2 m -76.46 156.76 83.17 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.657 0.742 . . . . 64.24 110.891 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.48 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.3 Cg_endo -69.77 179.07 3.96 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.695 2.263 . . . . 75.12 112.32 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.07 55.42 1.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 70.1 111.081 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.1 ptm -157.67 -34.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 74.45 110.872 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.634 HG11 ' HB3' ' A' ' 45' ' ' CYS . 16.8 t -90.79 144.05 9.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 74.43 111.158 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -140.9 11.41 2.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 72.31 111.079 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -144.09 154.91 43.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 64.01 110.935 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.6 m -104.04 140.58 37.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 73.24 110.861 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.7 ttt -121.9 140.66 52.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 41.31 110.897 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 94.1 m -146.28 115.56 7.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 75.43 111.13 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.1 m -113.72 102.14 9.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 72.3 111.142 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -98.23 109.99 22.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 75.42 110.878 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.9 158.04 16.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 75.23 111.131 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.424 ' O ' ' HB1' ' A' ' 61' ' ' ALA . 9.0 m-85 -139.64 101.51 4.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.253 -0.43 . . . . 73.2 110.91 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -84.58 -57.8 2.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.079 -0.51 . . . . 73.41 110.906 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.529 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -123.6 160.4 51.12 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.599 0.714 . . . . 73.15 111.124 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.529 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.6 Cg_endo -69.76 -3.73 12.6 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.654 2.236 . . . . 73.11 112.358 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 p -125.79 -1.53 7.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 64.32 111.132 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -145.88 129.55 17.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 70.14 110.891 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -146.05 176.56 9.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 73.51 110.909 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -150.74 144.74 25.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 73.32 110.919 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.782 HG11 ' HA ' ' A' ' 13' ' ' ASN . 9.0 p -128.64 146.73 33.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.254 -0.43 . . . . 63.11 111.148 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.02 132.59 34.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 71.04 110.881 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -134.79 144.04 47.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 73.13 110.908 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.409 ' HA ' HG22 ' A' ' 6' ' ' VAL . 63.6 p -162.3 178.57 8.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 71.42 110.827 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.634 ' HB3' HG11 ' A' ' 24' ' ' VAL . 3.3 m -103.25 128.7 50.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 71.15 110.876 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.505 ' O ' HG13 ' A' ' 24' ' ' VAL . 33.1 m -143.13 152.29 57.72 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.592 0.71 . . . . 71.41 111.135 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -45.63 1.49 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.673 2.249 . . . . 72.11 112.328 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 44.3 mtm180 -134.03 130.18 37.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 75.12 110.886 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.6 t -133.28 136.06 45.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 71.2 110.877 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -111.23 159.15 18.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 64.13 110.874 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -85.24 131.31 34.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 72.13 110.914 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.03 94.87 8.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 73.44 111.147 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 68.8 t -139.77 119.77 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 55.31 111.17 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -142.96 179.57 6.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 63.15 110.901 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -159.49 85.98 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 75.24 110.854 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 107.51 52.3 0.72 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 62.43 112.47 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -153.85 -39.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.897 0.38 . . . . 62.15 110.922 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 60.3 p -160.81 -167.24 1.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 74.32 110.862 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.8 ptpt -74.23 122.13 22.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 72.21 110.901 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -98.08 29.17 3.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 74.34 110.883 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.424 ' HB1' ' O ' ' A' ' 33' ' ' TYR . . . -88.92 13.46 12.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 74.24 111.13 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.4 p -133.58 127.45 33.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 74.01 110.87 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 18.7 p -119.52 116.17 25.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 70.4 111.14 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.1 m -96.56 109.26 21.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 73.21 111.114 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.0 t -93.64 147.05 23.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 75.51 110.83 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.2 m -137.1 137.37 39.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 70.2 110.894 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.04 179.98 7.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 54.22 110.871 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -134.49 9.7 3.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 65.14 110.915 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -96.42 147.81 23.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.426 . . . . 74.42 110.893 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -59.21 133.34 56.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.089 -0.505 . . . . 71.31 110.875 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.9 mt 48.92 32.71 3.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 72.34 110.888 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.3 p -66.52 -27.42 67.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 70.35 110.881 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 44.1 p-10 -94.12 26.54 3.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 52.01 110.903 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 72.43 112.52 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 mtt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.785 0.326 . . . . 63.45 110.87 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.5 tp -155.1 148.73 25.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 74.53 110.951 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.94 131.75 56.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 73.33 110.894 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.4 m -140.23 167.12 22.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 62.42 110.907 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -84.11 112.36 20.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 71.03 110.825 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 63.9 t -109.07 103.74 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 75.53 111.162 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.9 p -175.71 168.47 3.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 75.04 110.892 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -142.17 129.07 20.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 60.24 111.122 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -144.3 146.86 32.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 71.34 110.932 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.411 ' HA ' ' HA ' ' A' ' 40' ' ' LYS . 6.7 m-80 -90.11 64.51 6.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 71.41 110.86 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.13 -140.67 2.93 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.748 . . . . 64.51 112.49 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -62.22 -77.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.342 . . . . 72.23 110.875 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.797 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -167.07 121.19 1.02 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 61.43 110.904 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.5 p -76.54 158.16 31.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 74.14 110.89 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -123.56 119.48 30.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 72.31 110.861 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -160.55 83.83 2.03 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.581 0.705 . . . . 61.12 110.835 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 117.75 5.27 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.708 2.272 . . . . 73.21 112.321 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -137.84 133.42 33.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 70.5 110.887 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -70.58 131.98 44.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 74.5 110.889 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.504 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 5.0 m -75.19 157.71 84.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.619 0.724 . . . . 52.12 110.88 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.504 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.4 Cg_endo -69.73 179.04 3.96 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.713 2.275 . . . . 65.1 112.35 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.39 52.68 1.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 74.32 111.118 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.7 ptt? -156.96 -37.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 73.41 110.892 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.641 HG11 ' HB3' ' A' ' 45' ' ' CYS . 22.0 t -83.52 143.42 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 54.2 111.143 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.26 32.32 1.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 61.11 111.095 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -161.17 148.18 14.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 75.22 110.932 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.4 m -104.61 130.39 52.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 63.34 110.91 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 17.4 ttp -108.43 142.59 38.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 75.55 110.83 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 98.6 m -142.74 105.72 4.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 62.34 111.126 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 52.3 m -103.65 97.54 7.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 54.43 111.132 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -97.11 98.98 10.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 62.24 110.878 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.9 m -86.54 157.15 19.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 53.21 111.153 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -134.85 104.85 6.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.259 -0.428 . . . . 73.22 110.945 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -83.86 -62.5 1.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 75.41 110.908 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.563 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -124.33 161.25 48.77 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.614 0.721 . . . . 71.2 111.114 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.563 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.3 Cg_endo -69.81 -2.49 10.3 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.685 2.257 . . . . 72.14 112.338 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.5 p -122.1 -5.21 8.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 74.41 111.137 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -147.49 136.79 22.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 74.45 110.882 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.41 175.05 10.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 74.13 110.879 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 10' ' ' ASN . 0.4 OUTLIER -145.44 153.58 41.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 71.14 110.908 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.797 HG11 ' HA ' ' A' ' 13' ' ' ASN . 7.3 p -137.81 148.36 25.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 71.44 111.119 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.98 115.18 8.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 44.12 110.893 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.551 ' HE3' HG21 ' A' ' 41' ' ' VAL . 40.5 mttt -120.62 145.31 47.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 75.24 110.893 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 52.2 p -165.11 167.58 18.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 53.23 110.859 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.641 ' HB3' HG11 ' A' ' 24' ' ' VAL . 3.3 m -92.2 121.05 33.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 60.24 110.9 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.512 ' O ' HG13 ' A' ' 24' ' ' VAL . 33.3 m -134.39 152.32 77.8 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.647 0.736 . . . . 74.45 111.128 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -42.27 3.51 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.697 2.265 . . . . 51.44 112.317 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? -134.02 127.89 33.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 72.43 110.87 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 35.4 t -129.39 131.19 46.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 62.41 110.893 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -123.52 144.09 49.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 62.22 110.894 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -64.8 175.64 1.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 64.01 110.899 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.1 t -74.09 147.76 42.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 65.04 111.131 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.417 HG13 ' O ' ' A' ' 53' ' ' VAL . 4.3 p -104.9 117.94 51.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 74.23 111.091 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -147.41 164.3 33.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.467 . . . . 74.41 110.929 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -166.37 88.42 0.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 75.1 110.83 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -163.1 -94.06 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.725 -0.75 . . . . 55.24 112.454 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -135.41 -52.16 0.76 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.889 0.376 . . . . 72.01 110.912 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.9 t -155.89 160.3 40.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 61.21 110.883 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -148.42 91.59 1.92 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 44.12 110.919 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 24.5 p-80 -98.47 33.27 2.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 65.33 110.863 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.75 -77.07 0.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 72.33 111.087 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.8 t -144.77 137.39 26.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 43.24 110.857 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.21 126.27 52.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 73.34 111.124 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.5 m -98.11 107.3 19.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 55.45 111.143 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.7 m -94.54 131.83 39.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 74.43 110.85 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.0 m -124.51 139.56 53.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 53.32 110.899 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.4 p -155.0 170.62 21.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 72.31 110.848 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.8 tm0? -127.49 14.19 7.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 74.41 110.906 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.443 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 17.7 t80 -96.71 146.15 25.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 74.42 110.898 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -56.48 130.47 45.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.055 -0.52 . . . . 73.25 110.88 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.9 mt 49.21 33.65 5.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 60.12 110.903 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.443 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 29.1 p -66.23 -27.97 68.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 73.52 110.859 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 46.6 p-10 -93.8 26.5 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 70.12 110.9 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.749 . . . . 40.03 112.496 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 tpt . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.81 0.338 . . . . 73.21 110.865 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.4 HD22 ' HG2' ' A' ' 68' ' ' GLN . 58.3 tp -145.58 147.98 32.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 72.15 110.881 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.433 ' HA ' ' HA ' ' A' ' 19' ' ' ARG . 1.6 m-20 -116.7 139.69 50.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 72.24 110.854 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m -155.92 176.55 12.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 74.22 110.891 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.402 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 82.6 m-70 -87.87 112.44 22.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 75.21 110.873 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.497 HG13 ' HA ' ' A' ' 44' ' ' SER . 72.8 t -111.04 109.59 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 73.54 111.135 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.5 p -176.85 177.48 1.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 61.33 110.924 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -150.22 134.11 16.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 75.21 111.142 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -153.32 146.85 24.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 72.13 110.854 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -95.28 67.42 2.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 73.33 110.926 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.67 -136.07 1.93 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.758 -0.734 . . . . 61.23 112.494 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.6 -77.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 55.02 110.838 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.757 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -166.45 123.17 1.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 55.41 110.876 -179.882 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.0 p -77.06 154.66 33.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 74.31 110.897 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -127.99 122.37 32.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 74.14 110.866 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.402 ' O ' ' HA ' ' A' ' 5' ' ' HIS . 63.2 t-20 -161.94 87.93 1.5 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.646 0.736 . . . . 64.33 110.876 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 106.96 1.76 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.669 2.246 . . . . 63.03 112.363 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.6 tpp -139.27 134.88 33.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 65.42 110.883 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.433 ' HA ' ' HA ' ' A' ' 3' ' ' ASP . 12.3 ttm-85 -77.49 151.81 34.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 74.14 110.906 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.525 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 3.2 m -81.97 159.4 65.77 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.637 0.732 . . . . 62.31 110.896 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.525 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.2 Cg_endo -69.75 -177.79 2.04 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 54.44 112.327 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.78 52.55 1.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 33.31 111.119 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -157.98 -39.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 52.3 110.897 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.706 HG11 ' HB3' ' A' ' 45' ' ' CYS . 53.4 t -85.88 148.36 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 75.43 111.164 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -147.42 32.76 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 70.51 111.071 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -156.61 153.47 28.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 73.3 110.963 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.8 m -110.1 133.12 53.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.503 . . . . 44.14 110.892 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.3 ttt -113.33 137.05 52.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 74.41 110.875 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.447 ' O ' HG23 ' A' ' 64' ' ' THR . 96.7 m -135.43 125.42 25.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 71.14 111.109 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.0 m -126.59 97.54 5.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 64.31 111.165 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -95.22 100.6 12.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 64.03 110.876 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.2 m -94.16 138.88 31.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 34.1 111.155 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -142.95 127.97 18.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 74.5 110.946 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -105.26 -45.33 4.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 42.43 110.952 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.591 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -136.26 162.75 54.63 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.627 0.727 . . . . 70.34 111.111 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.591 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 54.1 Cg_endo -69.72 -2.33 9.95 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.653 2.235 . . . . 73.0 112.368 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.7 p -122.35 -2.65 9.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 74.2 111.193 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -147.3 120.15 8.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 63.14 110.905 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.6 ptp -144.9 176.5 9.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 53.11 110.852 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -153.21 154.05 33.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 74.35 110.93 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.757 HG11 ' HA ' ' A' ' 13' ' ' ASN . 14.2 p -139.05 149.51 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 74.03 111.128 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.31 127.04 15.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 75.41 110.855 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.406 ' HE3' HG21 ' A' ' 41' ' ' VAL . 27.3 mttt -135.43 140.1 44.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 64.21 110.892 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.497 ' HA ' HG13 ' A' ' 6' ' ' VAL . 11.1 p -165.9 174.16 9.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 73.21 110.868 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.706 ' HB3' HG11 ' A' ' 24' ' ' VAL . 4.0 m -98.13 125.61 43.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 50.23 110.845 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.518 ' O ' HG13 ' A' ' 24' ' ' VAL . 28.3 m -132.3 153.0 81.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.596 0.712 . . . . 74.12 111.103 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -42.74 3.18 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.654 2.236 . . . . 63.53 112.353 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -134.48 107.27 7.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 74.02 110.915 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 52.6 t -101.92 145.09 29.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 73.02 110.886 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -137.85 147.61 44.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 73.31 110.868 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -64.78 173.54 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 72.21 110.911 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 35.2 m -74.63 128.98 36.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 74.24 111.176 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.3 m -139.45 154.66 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 62.05 111.155 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -164.95 170.96 14.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 73.12 110.956 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -144.5 42.4 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 71.24 110.867 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -103.66 -94.82 2.32 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 54.1 112.469 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -139.19 -75.63 0.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.848 0.356 . . . . 72.4 110.895 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.2 t -154.91 103.7 2.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 74.22 110.858 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.0 mmmm -144.69 86.89 1.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.494 . . . . 64.13 110.924 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -105.61 33.95 3.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 72.3 110.857 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.48 16.42 5.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 52.14 111.1 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.9 m -155.26 117.29 4.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 64.3 110.877 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.1 m -116.65 113.43 22.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 55.13 111.133 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 29' ' ' THR . 22.5 m -106.4 141.12 38.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 71.34 111.174 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.2 t -132.24 155.2 48.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 74.42 110.849 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.5 m -133.96 142.28 47.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.5 . . . . 74.34 110.882 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.9 p -151.03 177.48 10.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 35.4 110.866 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.4 ' HG2' HD22 ' A' ' 2' ' ' LEU . 6.1 tt0 -139.14 12.95 2.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 70.24 110.904 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.414 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 30.3 t80 -95.99 148.9 22.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 74.44 110.894 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -53.98 129.07 32.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 74.41 110.861 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.1 mt 47.66 35.67 4.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 65.14 110.948 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.414 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 27.3 p -65.37 -29.56 70.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 74.25 110.861 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.5 p-10 -94.29 25.38 3.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 71.42 110.887 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.783 -0.722 . . . . 61.54 112.482 179.978 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.4 tpp . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.837 0.351 . . . . 73.13 110.844 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 35.4 tp -155.13 150.88 27.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 73.22 110.945 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -120.65 128.31 52.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 74.42 110.866 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.3 m -138.18 163.65 31.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 72.25 110.862 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -83.57 107.44 16.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 71.23 110.874 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.705 HG13 ' HA ' ' A' ' 44' ' ' SER . 15.5 t -104.84 108.87 25.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 72.01 111.119 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.4 p -175.52 160.69 2.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 53.12 110.868 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -134.92 130.71 36.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 73.41 111.098 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -144.48 151.27 38.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.877 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 -95.11 63.72 2.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 72.42 110.893 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.84 -137.99 2.31 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.764 -0.732 . . . . 74.33 112.509 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -64.7 -77.54 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.816 0.341 . . . . 61.23 110.844 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.75 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -167.61 122.33 1.01 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 70.51 110.858 -179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.5 p -76.24 177.92 6.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 52.23 110.866 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -143.82 120.99 11.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 41.34 110.863 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -163.52 87.47 1.24 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.656 0.741 . . . . 44.45 110.896 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 122.13 8.83 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.713 2.276 . . . . 73.54 112.353 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 49.0 mmm -141.14 137.78 32.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 74.13 110.866 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -75.46 133.96 40.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 62.43 110.941 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.498 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 3.9 m -76.07 157.74 82.95 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.616 0.722 . . . . 72.23 110.905 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.498 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.5 Cg_endo -69.74 175.21 8.39 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.727 2.285 . . . . 64.02 112.316 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.14 52.46 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 72.13 111.103 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.8 ptp -156.88 -39.48 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 74.32 110.865 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.688 HG11 ' HB3' ' A' ' 45' ' ' CYS . 39.3 t -82.01 146.04 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 55.42 111.14 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -147.63 31.36 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 70.03 111.053 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -158.83 147.26 18.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 73.52 110.913 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.6 m -104.82 128.11 52.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 63.01 110.904 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.9 ttm -113.68 143.91 43.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 71.21 110.864 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.691 HG23 ' HG3' ' A' ' 43' ' ' LYS . 54.4 m -145.94 118.42 8.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 53.15 111.158 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -107.16 100.1 9.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 62.13 111.143 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -97.43 97.53 9.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 71.34 110.875 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.0 m -91.54 115.49 28.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 71.3 111.13 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -105.65 120.5 41.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 63.12 110.895 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -105.59 -69.1 0.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 73.11 110.939 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.562 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -117.22 161.2 34.22 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.574 0.702 . . . . 65.2 111.148 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.562 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 54.0 Cg_endo -69.73 -5.13 15.44 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.692 2.261 . . . . 72.02 112.37 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.7 p -121.85 -5.26 9.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 75.34 111.189 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -144.45 122.75 12.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 74.1 110.815 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -141.52 166.04 25.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.889 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -137.81 145.71 42.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 71.23 110.927 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.75 HG11 ' HA ' ' A' ' 13' ' ' ASN . 9.4 p -142.8 145.16 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 72.41 111.104 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.23 126.91 13.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 75.0 110.899 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.691 ' HG3' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -129.3 145.85 51.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 73.23 110.859 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.705 ' HA ' HG13 ' A' ' 6' ' ' VAL . 82.8 p -166.05 171.99 11.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 61.12 110.9 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.688 ' HB3' HG11 ' A' ' 24' ' ' VAL . 1.7 m -94.81 123.57 38.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 61.13 110.856 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.528 ' O ' HG13 ' A' ' 24' ' ' VAL . 35.4 m -133.01 152.58 80.01 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.616 0.722 . . . . 50.22 111.127 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -44.96 1.78 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.725 2.284 . . . . 74.14 112.324 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -134.32 107.46 7.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 73.24 110.865 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.7 t -97.57 138.32 35.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 64.4 110.92 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -113.69 139.06 49.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 65.55 110.895 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -64.53 -178.33 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 71.31 110.817 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.433 ' O ' HG23 ' A' ' 52' ' ' THR . 4.1 t -73.13 115.2 12.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.082 -0.508 . . . . 74.03 111.151 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.8 t -144.85 141.63 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 60.3 111.101 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -145.54 173.42 12.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 73.03 110.917 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -165.49 89.18 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 74.34 110.85 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -162.09 -82.87 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.74 . . . . 32.32 112.496 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -136.69 -77.14 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 54.23 110.912 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 91.1 p -158.0 92.92 1.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 64.42 110.808 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -149.51 116.23 5.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 74.22 110.917 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.25 43.29 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 70.12 110.869 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.29 22.51 2.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 75.33 111.114 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t -155.67 135.24 12.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 74.12 110.876 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.0 131.17 53.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 71.34 111.138 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 29.4 m -100.51 131.58 46.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 73.52 111.132 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 m -113.73 129.97 56.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 62.22 110.871 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.7 m -122.62 134.86 54.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 65.34 110.865 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.6 p -155.91 173.25 17.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 43.41 110.911 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -131.12 12.35 5.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 52.33 110.909 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.415 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 14.5 t80 -95.75 144.09 26.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.915 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -54.63 129.8 37.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.081 -0.508 . . . . 61.25 110.873 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 17.4 mt 48.58 35.38 6.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 35.01 110.945 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.415 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 26.5 p -65.78 -34.17 77.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 71.14 110.889 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 49.6 p-10 -83.5 -17.47 41.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 64.43 110.885 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 C-N-CA 120.749 -0.739 . . . . 51.31 112.504 179.957 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.805 0.336 . . . . 73.04 110.874 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 57.3 tp -135.7 147.34 48.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 61.44 110.944 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.429 ' HA ' ' HA ' ' A' ' 19' ' ' ARG . 1.6 m-20 -113.9 138.78 49.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 73.22 110.887 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m -155.97 171.58 19.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 74.13 110.906 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -84.39 111.35 19.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 73.42 110.824 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.468 HG22 ' HA ' ' A' ' 44' ' ' SER . 94.7 t -111.96 112.36 40.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 71.32 111.111 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 30.8 p -175.13 177.11 1.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 73.22 110.881 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.84 136.55 20.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 42.24 111.094 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -157.01 147.77 21.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 74.44 110.892 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -95.04 66.74 3.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 73.43 110.909 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.07 -133.93 1.56 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 62.21 112.483 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -67.4 -78.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 72.44 110.843 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.748 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -167.14 119.14 0.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 65.42 110.886 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 32.1 p -77.53 151.82 34.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 70.22 110.884 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -120.55 127.8 52.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 71.11 110.912 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -165.49 89.27 0.94 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.619 0.723 . . . . 62.23 110.935 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 107.92 1.97 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.699 2.266 . . . . 71.53 112.338 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.5 ttm -138.37 134.63 34.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 62.15 110.891 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.429 ' HA ' ' HA ' ' A' ' 3' ' ' ASP . 13.2 ttm-85 -76.9 151.15 35.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 75.51 110.903 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.511 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 16.1 m -83.93 158.1 62.35 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.676 0.75 . . . . 71.33 110.851 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.511 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.0 Cg_endo -69.75 174.05 10.07 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.266 . . . . 52.03 112.353 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.34 55.79 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 73.23 111.118 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.568 ' HG3' HG23 ' A' ' 24' ' ' VAL . 2.7 ptp -158.15 -38.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 71.33 110.883 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.587 HG11 ' HB3' ' A' ' 45' ' ' CYS . 21.3 t -92.13 149.93 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 71.03 111.151 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -148.11 39.83 0.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 75.31 111.079 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -160.59 143.82 13.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 72.02 110.91 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.7 m -105.86 133.86 49.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 65.35 110.834 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.3 ttt -124.03 144.27 49.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 73.25 110.887 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 60.6 m -143.96 118.29 9.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 43.22 111.132 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.15 101.67 10.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 51.32 111.121 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -96.17 99.77 11.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 53.01 110.864 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.9 m -94.14 141.24 28.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 73.41 111.126 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -143.45 123.02 13.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 71.22 110.938 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -105.07 -46.83 4.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 71.52 110.916 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.543 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -130.01 161.24 61.04 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.597 0.713 . . . . 55.24 111.178 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.543 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 54.2 Cg_endo -69.7 -5.12 15.41 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.666 2.244 . . . . 71.24 112.353 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.3 p -124.04 -2.85 8.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 70.51 111.145 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -141.47 114.94 8.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 62.54 110.836 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.23 175.22 10.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 65.42 110.863 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -152.41 155.9 38.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 73.52 110.921 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.748 HG11 ' HA ' ' A' ' 13' ' ' ASN . 14.9 p -140.84 150.54 20.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 33.53 111.156 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 p -144.44 122.39 12.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 54.52 110.891 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.449 ' HE2' HG21 ' A' ' 41' ' ' VAL . 24.9 mttm -129.53 133.35 47.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 75.53 110.918 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.468 ' HA ' HG22 ' A' ' 6' ' ' VAL . 53.3 p -166.6 175.06 8.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 70.12 110.845 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.587 ' HB3' HG11 ' A' ' 24' ' ' VAL . 95.4 m -91.89 136.28 33.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 70.04 110.901 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.454 ' C ' HG13 ' A' ' 24' ' ' VAL . 31.8 m -138.11 152.94 72.83 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.589 0.709 . . . . 61.21 111.143 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -46.11 1.34 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.709 2.273 . . . . 74.1 112.322 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 38.7 mtp180 -137.68 109.19 6.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 73.52 110.838 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 49.7 t -99.81 141.92 31.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 64.54 110.894 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -129.16 132.55 47.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 62.23 110.874 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -64.78 128.04 34.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 64.44 110.892 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.1 m -74.65 121.79 22.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 73.24 111.167 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.5 t -143.38 135.4 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 75.15 111.13 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -144.65 -168.24 2.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 72.42 110.927 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -158.73 89.79 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 72.45 110.892 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -160.03 -103.0 0.18 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 12.41 112.488 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -154.61 -77.57 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.92 0.39 . . . . 72.02 110.917 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.6 m -87.74 18.38 4.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 71.31 110.88 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -95.78 -2.44 47.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 75.03 110.905 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -105.57 31.51 4.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 71.34 110.907 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.14 15.3 6.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 52.44 111.119 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.9 t -155.02 129.85 9.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 64.03 110.841 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.49 117.29 24.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.496 . . . . 64.34 111.145 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.5 m -98.61 143.42 29.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 73.1 111.143 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 t -126.19 148.49 49.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 72.33 110.872 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.9 m -134.79 138.01 43.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 54.31 110.853 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.0 p -156.04 175.48 13.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 64.52 110.88 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -137.82 13.08 2.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 73.21 110.918 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.411 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 35.3 t80 -95.86 148.45 22.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 75.55 110.903 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -53.98 129.48 34.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 64.45 110.842 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 28.2 mt 47.5 35.91 4.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 62.44 110.884 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.411 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 27.0 p -65.32 -31.41 72.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 62.43 110.901 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -94.04 25.64 3.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 72.25 110.891 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 C-N-CA 120.748 -0.739 . . . . 74.45 112.452 179.98 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.9 mtt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.82 0.343 . . . . 72.31 110.855 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 39.7 tp -145.73 149.73 34.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 73.04 110.929 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.27 139.11 53.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 73.44 110.816 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m -154.72 173.91 15.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 63.25 110.896 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -83.92 115.71 22.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 73.33 110.875 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.43 HG13 ' HA ' ' A' ' 44' ' ' SER . 96.5 t -113.46 102.31 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 71.41 111.142 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.5 p -175.81 -176.46 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 54.32 110.89 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -153.81 137.05 15.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.464 . . . . 75.41 111.129 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -150.1 136.65 19.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 74.01 110.935 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.447 ' HA ' ' HA ' ' A' ' 40' ' ' LYS . 0.7 OUTLIER -76.78 64.49 2.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 50.14 110.875 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.71 -138.09 2.33 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.774 -0.727 . . . . 21.14 112.522 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.69 -77.54 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.825 0.345 . . . . 72.13 110.856 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.819 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -165.58 122.73 1.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 71.22 110.868 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.3 p -76.71 157.77 31.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 63.31 110.88 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -121.9 117.75 27.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 64.31 110.923 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -161.73 84.87 1.68 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.618 0.723 . . . . 63.1 110.877 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 125.94 12.72 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.658 2.239 . . . . 51.34 112.373 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.8 tpp -145.22 138.57 26.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 71.43 110.904 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.0 tpp180 -75.28 129.93 38.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 64.43 110.88 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.5 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 5.9 m -75.5 157.34 84.55 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.601 0.715 . . . . 61.02 110.933 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.5 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.3 Cg_endo -69.68 177.26 5.7 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.686 2.257 . . . . 74.42 112.363 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.8 55.64 1.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 50.52 111.12 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 14.2 ptp -158.13 -39.09 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 74.55 110.841 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.636 HG11 ' HB3' ' A' ' 45' ' ' CYS . 20.8 t -78.05 141.07 16.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 74.34 111.12 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -139.16 11.31 2.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 72.35 111.127 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -147.69 147.62 30.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 73.23 110.883 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.9 m -103.86 125.4 50.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.505 . . . . 53.14 110.904 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.6 ttp -100.99 143.54 31.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 55.03 110.863 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 81.9 m -145.48 109.88 4.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 64.02 111.153 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.56 100.17 9.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 72.21 111.147 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -96.13 101.62 13.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 75.35 110.89 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.7 m -95.41 134.32 38.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 73.54 111.105 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.4 p90 -135.24 116.34 14.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 71.34 110.937 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -99.38 -46.33 5.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.505 . . . . 75.22 110.961 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.549 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -131.85 161.29 63.43 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.583 0.706 . . . . 71.41 111.155 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.549 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 54.0 Cg_endo -69.7 -5.42 16.14 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.722 2.282 . . . . 71.12 112.342 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.8 p -123.71 -2.34 8.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 72.25 111.128 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -142.48 113.97 7.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 71.53 110.867 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.7 ptp -137.12 175.87 9.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 62.14 110.898 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 10' ' ' ASN . 18.3 tptm -154.57 145.45 22.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 73.02 110.907 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.819 HG11 ' HA ' ' A' ' 13' ' ' ASN . 12.0 p -131.66 152.19 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 72.43 111.168 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.2 p -145.81 127.89 15.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 63.12 110.889 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.404 ' HE2' HG21 ' A' ' 41' ' ' VAL . 28.1 mttm -133.14 140.88 47.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 70.33 110.878 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.43 ' HA ' HG13 ' A' ' 6' ' ' VAL . 95.1 p -161.3 170.71 19.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 74.04 110.862 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.636 ' HB3' HG11 ' A' ' 24' ' ' VAL . 8.6 m -99.01 125.62 44.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 73.45 110.928 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.541 ' O ' HG13 ' A' ' 24' ' ' VAL . 28.6 m -139.09 152.68 70.42 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.609 0.719 . . . . 62.11 111.121 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 -40.19 5.51 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.694 2.262 . . . . 53.34 112.378 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.6 mmt85 -133.86 127.12 31.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 75.55 110.902 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 42.1 t -131.31 127.59 38.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 63.44 110.887 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -111.73 127.07 55.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 53.15 110.908 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -64.58 135.85 56.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 65.15 110.858 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.5 m -144.79 111.23 5.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 60.31 111.111 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.6 p -107.54 -33.42 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 75.11 111.121 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -166.73 69.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 73.13 110.905 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -157.42 77.66 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 74.12 110.821 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -163.62 -96.04 0.11 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.704 -0.76 . . . . 73.51 112.46 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -144.35 -42.08 0.26 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.884 0.373 . . . . 74.1 110.945 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.8 m -85.06 -175.22 5.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 71.33 110.888 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.1 mmtm -76.14 -176.66 3.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 75.13 110.867 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.08 38.95 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 71.01 110.852 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.74 18.66 3.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 63.24 111.096 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.6 m -155.93 126.97 7.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 62.14 110.893 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.75 114.13 21.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 74.12 111.109 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.6 m -94.67 113.42 25.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 72.1 111.161 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.65 153.35 18.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 72.22 110.833 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 13.7 m -138.94 143.72 38.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 74.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.7 p -156.45 179.98 8.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 73.42 110.875 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -139.95 12.4 2.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 74.12 110.901 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.419 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 25.8 t80 -96.03 148.09 23.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 74.31 110.909 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -54.4 128.83 33.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.103 -0.499 . . . . 63.55 110.902 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.6 mt 48.89 34.98 5.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 65.33 110.913 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.419 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 27.6 p -65.6 -27.08 68.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 54.41 110.874 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 51.6 p30 -94.6 26.27 3.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 72.11 110.856 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.747 . . . . 52.42 112.492 179.939 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.779 0.323 . . . . 74.23 110.879 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 34.8 tp -151.83 150.2 29.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 72.42 110.971 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.44 130.44 53.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 71.13 110.862 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.7 m -140.59 163.56 32.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 72.35 110.883 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -83.39 104.32 13.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 72.14 110.847 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.583 HG22 ' HA ' ' A' ' 44' ' ' SER . 84.4 t -101.77 110.93 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 53.31 111.125 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.1 p -177.43 162.84 1.92 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 44.34 110.884 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -134.89 129.23 34.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 53.2 111.102 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -145.54 147.39 32.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 73.22 110.899 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -95.32 65.29 2.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 74.43 110.874 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.19 -139.13 2.56 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.741 -0.742 . . . . 42.04 112.508 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -63.23 -75.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.856 0.36 . . . . 64.25 110.895 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.722 ' HA ' HG11 ' A' ' 41' ' ' VAL . 1.5 m-20 -165.43 126.37 1.92 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.863 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.8 p -77.07 173.47 11.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 60.13 110.849 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -144.46 116.05 8.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 72.43 110.919 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -162.75 87.68 1.36 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.64 0.733 . . . . 72.34 110.86 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 119.37 6.33 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.692 2.261 . . . . 73.51 112.334 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -138.88 133.77 32.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 73.1 110.87 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.4 tpp180 -75.19 133.33 41.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 72.31 110.908 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.494 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 3.4 m -76.76 157.92 81.32 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.647 0.736 . . . . 74.13 110.904 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.494 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.0 Cg_endo -69.77 -170.5 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 2.263 . . . . 61.44 112.317 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.48 36.92 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 54.15 111.107 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.2 ptp -140.79 -28.46 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 64.22 110.88 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.665 HG11 ' HB3' ' A' ' 45' ' ' CYS . 15.6 t -94.42 141.88 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 74.52 111.135 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.16 28.79 1.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 71.03 111.075 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -155.9 147.47 22.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 74.54 110.931 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.3 m -104.3 124.44 49.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 74.12 110.867 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.3 ttt -104.08 138.34 40.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 63.21 110.893 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 65.9 m -143.2 114.93 8.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 75.12 111.139 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.2 m -111.77 102.37 10.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 73.32 111.117 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -98.19 104.41 16.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 74.02 110.892 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.8 m -96.52 161.8 13.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 61.52 111.137 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -133.8 106.82 7.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 73.04 110.906 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -84.5 -70.38 0.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 71.2 110.926 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.528 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -111.97 161.05 27.56 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.632 0.73 . . . . 73.45 111.123 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.528 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.9 Cg_endo -69.76 -4.87 14.9 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.695 2.263 . . . . 71.03 112.325 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.9 p -123.58 -4.24 8.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 72.12 111.126 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.6 mtp-105 -145.03 132.85 21.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 64.5 110.902 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -134.2 170.08 16.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 65.14 110.88 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -137.55 147.72 45.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 63.34 110.873 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.722 HG11 ' HA ' ' A' ' 13' ' ' ASN . 13.5 p -136.99 150.47 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 61.23 111.158 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.5 p -143.69 129.67 19.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 71.21 110.88 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.4 mttm -135.61 145.85 47.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 63.31 110.884 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.583 ' HA ' HG22 ' A' ' 6' ' ' VAL . 75.3 p -166.5 175.68 7.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 70.42 110.835 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.665 ' HB3' HG11 ' A' ' 24' ' ' VAL . 1.6 m -100.21 120.9 40.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.493 . . . . 74.32 110.897 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.547 ' O ' HG13 ' A' ' 24' ' ' VAL . 34.4 m -131.87 152.01 79.54 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.619 0.723 . . . . 65.42 111.124 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -43.36 2.67 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.678 2.252 . . . . 72.44 112.347 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.2 mmt85 -133.9 125.05 27.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 53.3 110.875 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 41.1 t -132.13 126.32 33.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 43.21 110.842 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -111.09 140.49 45.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 72.31 110.897 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -64.12 132.31 50.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 72.31 110.914 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 93.5 m -74.4 100.41 3.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 74.32 111.16 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.455 HG13 ' O ' ' A' ' 53' ' ' VAL . 2.7 p -105.18 102.37 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 55.12 111.113 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -152.7 99.51 2.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 71.15 110.901 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -156.38 74.08 0.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 75.23 110.828 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.78 -48.79 64.51 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.702 -0.761 . . . . 62.12 112.49 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -138.18 -42.66 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.876 0.369 . . . . 72.43 110.913 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.4 t -165.49 92.24 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 65.33 110.861 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.1 mttp -146.89 111.55 5.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 71.02 110.912 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 -147.68 40.16 0.99 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 72.34 110.851 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.79 -12.2 54.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 61.14 111.114 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.7 p -157.35 138.47 13.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 74.1 110.877 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.6 t -144.76 145.71 31.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 74.02 111.173 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.8 m -122.77 134.98 54.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 73.1 111.153 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.9 m -116.1 146.26 42.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 75.33 110.862 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 5.2 m -133.84 140.61 46.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 72.1 110.874 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.1 p -152.72 178.39 9.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 64.24 110.899 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -134.2 11.59 3.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 63.45 110.934 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.421 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 18.0 t80 -95.36 146.38 24.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 72.12 110.931 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -54.28 130.42 38.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 62.32 110.836 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.8 mt 46.6 36.05 3.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 70.04 110.877 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.421 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 27.2 p -65.8 -33.49 75.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 54.14 110.9 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 45.0 p-10 -83.66 -21.26 32.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 71.52 110.929 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.737 -0.744 . . . . 64.23 112.534 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 ttp . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.797 0.332 . . . . 72.34 110.894 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 27.1 tp -155.17 148.84 25.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 74.11 110.92 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.0 140.11 51.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 73.12 110.82 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m -155.9 174.32 15.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 51.34 110.923 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -83.6 118.62 23.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 72.23 110.906 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.757 HG13 ' HA ' ' A' ' 44' ' ' SER . 18.3 t -117.59 105.86 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 74.51 111.137 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.7 p -178.4 176.51 1.04 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 71.23 110.892 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -144.07 130.12 19.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 64.33 111.124 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -144.63 152.93 41.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 71.43 110.946 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 54.2 m-20 -95.16 64.54 2.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 65.32 110.921 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.19 -136.53 2.01 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 72.2 112.497 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -67.13 -76.43 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.789 0.328 . . . . 74.34 110.899 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.732 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -166.51 121.8 1.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 64.12 110.905 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.2 p -76.22 141.98 41.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 62.22 110.882 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -106.55 117.1 33.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 70.42 110.824 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -160.79 81.64 2.13 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.631 0.729 . . . . 60.3 110.902 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 122.3 8.97 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.657 2.238 . . . . 33.23 112.308 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 33.7 mmm -139.93 141.33 36.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 73.21 110.91 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -75.99 129.57 37.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 73.44 110.908 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.489 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 8.3 m -74.02 157.32 87.14 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.627 0.727 . . . . 63.33 110.914 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.489 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.6 Cg_endo -69.83 174.2 9.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.704 2.269 . . . . 71.11 112.316 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.13 53.84 0.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 74.43 111.074 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.1 ptm -156.32 -39.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 64.13 110.882 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.643 HG11 ' HB3' ' A' ' 45' ' ' CYS . 41.2 t -78.08 146.25 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 72.31 111.158 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.29 22.81 1.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 62.0 111.089 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -157.58 149.19 21.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 73.13 110.91 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.8 m -104.79 127.28 52.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 70.11 110.846 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.8 ttt -107.22 141.15 38.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 74.42 110.84 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.412 HG23 ' HG2' ' A' ' 43' ' ' LYS . 36.0 m -145.87 115.57 7.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 62.32 111.163 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 36.6 m -108.97 106.21 16.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 72.14 111.101 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.08 106.42 18.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 70.3 110.887 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.652 HG23 ' HB2' ' A' ' 62' ' ' SER . 6.5 m -95.18 156.68 16.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 73.23 111.122 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -133.85 100.95 4.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 50.52 110.919 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -85.02 -69.5 0.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 65.13 110.942 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.536 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -114.67 160.58 32.74 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.597 0.713 . . . . 74.1 111.107 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.536 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.5 Cg_endo -69.78 -5.0 15.18 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.692 2.261 . . . . 72.33 112.335 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.4 p -123.14 -4.28 8.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 74.14 111.137 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.9 mmt85 -145.52 132.11 19.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 63.43 110.863 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.84 177.28 7.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 60.53 110.862 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -141.61 144.64 34.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 74.12 110.878 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.732 HG11 ' HA ' ' A' ' 13' ' ' ASN . 5.8 p -135.66 142.99 37.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 62.3 111.128 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.54 132.14 34.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 72.34 110.855 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.412 ' HG2' HG23 ' A' ' 29' ' ' THR . 22.3 mttt -135.01 139.01 44.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 61.1 110.879 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.757 ' HA ' HG13 ' A' ' 6' ' ' VAL . 4.8 p -162.25 168.32 22.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 60.13 110.839 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.643 ' HB3' HG11 ' A' ' 24' ' ' VAL . 1.7 m -99.24 123.07 43.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 74.42 110.817 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.54 ' O ' HG13 ' A' ' 24' ' ' VAL . 34.2 m -135.26 151.55 75.22 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.639 0.733 . . . . 74.21 111.122 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -41.48 4.28 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.67 2.247 . . . . 72.43 112.366 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.7 mtp85 -134.04 119.36 18.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 72.04 110.862 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.7 t -115.95 133.62 55.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 75.12 110.903 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -126.45 136.9 53.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 65.45 110.924 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -65.18 176.88 1.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 73.21 110.863 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 10.9 t -73.68 174.91 7.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 73.44 111.133 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.4 p -137.25 124.52 30.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 51.31 111.164 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -147.26 172.27 14.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 62.43 110.93 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -165.11 87.05 0.42 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 72.34 110.856 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -162.67 -98.56 0.13 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.756 -0.735 . . . . 65.4 112.515 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -136.92 -52.26 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.911 0.386 . . . . 62.13 110.961 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.8 p -156.04 169.21 24.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.092 -0.504 . . . . 75.13 110.869 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.95 90.66 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 75.33 110.896 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -95.39 35.18 1.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 75.53 110.885 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.51 -76.43 0.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 42.41 111.1 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.652 ' HB2' HG23 ' A' ' 32' ' ' THR . 3.9 t -144.26 152.31 40.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 64.4 110.88 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.5 t -145.45 167.93 21.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 74.13 111.129 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.3 m -129.96 145.33 51.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 65.31 111.137 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.5 t -126.62 139.61 53.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 34.12 110.888 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.9 m -126.25 137.64 53.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 75.41 110.884 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.7 p -152.92 174.37 14.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 73.42 110.878 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -134.27 13.87 3.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 63.53 110.934 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.441 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 17.4 t80 -96.36 145.93 25.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 73.3 110.91 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -54.61 129.18 35.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 74.01 110.889 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.5 mt 48.3 35.53 5.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 75.05 110.898 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.441 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 27.8 p -65.86 -26.44 67.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 70.44 110.876 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 -94.54 25.79 3.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 55.13 110.844 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.79 -0.719 . . . . 50.23 112.514 179.942 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.9 mtt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.803 0.335 . . . . 73.13 110.869 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 17.4 tp -155.37 148.54 24.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 64.2 110.88 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.67 133.23 56.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 63.32 110.888 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 21.8 m -139.98 168.48 19.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 74.51 110.83 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -84.33 112.81 20.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.836 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.437 HG22 ' HA ' ' A' ' 44' ' ' SER . 80.1 t -109.5 100.19 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 71.1 111.151 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.9 p -176.11 170.64 2.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 65.25 110.882 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -142.02 134.53 28.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 71.51 111.084 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -145.27 151.75 38.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 72.33 110.943 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -93.42 63.7 3.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 64.13 110.927 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.21 -138.02 2.32 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.749 -0.739 . . . . 55.3 112.488 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -65.98 -75.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 51.22 110.862 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.641 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.5 OUTLIER -165.88 127.05 1.86 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 64.42 110.849 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.6 p -79.94 162.42 24.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 64.14 110.855 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -125.64 115.01 19.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 75.54 110.886 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 37.7 t-20 -158.11 82.63 2.82 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.587 0.708 . . . . 72.31 110.875 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 122.25 8.92 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.699 2.266 . . . . 71.24 112.34 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -142.21 133.29 26.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 54.42 110.9 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -69.56 132.98 47.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 75.53 110.836 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.493 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 3.9 m -76.32 157.71 82.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.647 0.737 . . . . 73.1 110.865 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.493 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.1 Cg_endo -69.77 -179.68 3.08 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.733 2.289 . . . . 65.43 112.378 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.42 54.52 1.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 64.51 111.113 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.9 ptp -158.28 -39.45 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 71.5 110.882 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.706 HG11 ' HB3' ' A' ' 45' ' ' CYS . 37.4 t -84.14 144.58 9.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 53.32 111.123 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.79 27.34 1.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 74.32 111.075 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -156.4 152.63 27.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 72.42 110.873 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.1 m -104.7 141.61 36.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 73.43 110.89 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.3 ttm -120.2 143.37 48.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 64.04 110.878 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 88.0 m -145.17 111.38 5.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 72.13 111.129 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.0 m -111.64 101.77 10.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 72.03 111.14 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -97.32 103.6 15.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 75.34 110.863 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 98.5 m -87.39 136.3 32.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 70.41 111.15 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -106.25 111.99 24.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 62.34 110.92 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -98.13 -80.53 0.45 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 75.34 110.944 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.468 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.3 p -113.05 161.91 24.45 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.621 0.724 . . . . 75.53 111.132 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.468 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.7 Cg_endo -69.76 -3.54 12.21 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.713 2.276 . . . . 74.11 112.352 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.7 p -122.76 -7.42 8.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 52.04 111.153 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.3 mmm-85 -146.61 140.26 25.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 50.34 110.897 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.5 ptp -143.53 171.74 13.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 75.42 110.868 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.0 mtpp -134.92 140.43 45.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 74.11 110.871 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.641 HG11 ' HA ' ' A' ' 13' ' ' ASN . 9.3 p -132.98 147.08 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 65.31 111.163 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 p -143.0 129.31 19.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 63.45 110.85 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.578 ' HE2' HG22 ' A' ' 41' ' ' VAL . 8.9 mtmt -135.88 140.75 44.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 74.42 110.912 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.437 ' HA ' HG22 ' A' ' 6' ' ' VAL . 33.8 p -163.95 175.03 10.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 63.13 110.803 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.706 ' HB3' HG11 ' A' ' 24' ' ' VAL . 1.7 m -95.71 125.54 40.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.058 -0.519 . . . . 64.41 110.86 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.553 ' O ' HG13 ' A' ' 24' ' ' VAL . 32.6 m -135.4 152.22 76.19 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.623 0.725 . . . . 63.22 111.077 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -46.4 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.697 2.265 . . . . 73.01 112.348 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -134.77 120.61 19.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 71.53 110.845 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 23.0 t -120.13 120.74 37.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 55.25 110.888 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -97.59 137.92 35.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 72.31 110.922 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -72.99 154.22 40.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 75.2 110.868 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.5 m -74.36 148.28 41.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 41.2 111.142 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.402 ' O ' HG23 ' A' ' 53' ' ' VAL . 6.9 m -135.96 112.66 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 74.34 111.133 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -162.15 152.2 16.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 74.05 110.889 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -165.56 86.73 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 55.14 110.869 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -163.35 -81.24 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 75.02 112.475 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -135.55 -54.44 0.78 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.86 0.362 . . . . 54.44 110.909 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.93 57.04 3.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 72.44 110.884 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -95.34 -8.77 34.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 73.25 110.917 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 34.7 p-80 -106.07 33.26 3.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 72.11 110.862 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.59 -81.06 0.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 71.43 111.121 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 61.5 m -135.42 134.84 40.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 61.13 110.869 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 29.9 m -112.15 117.49 32.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 63.24 111.164 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.2 m -94.83 107.12 19.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 71.23 111.169 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 60.3 m -97.39 135.33 39.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 71.4 110.856 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.3 m -127.76 137.07 52.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 61.51 110.91 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.1 p -150.62 177.25 10.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 74.25 110.886 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -132.65 12.25 4.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 52.02 110.898 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.453 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 19.1 t80 -96.51 146.4 24.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 75.31 110.904 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -58.02 131.28 49.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 72.22 110.896 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.9 mt 49.74 32.23 5.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 65.22 110.947 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.453 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 30.5 p -66.34 -26.03 67.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 71.44 110.863 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 46.2 p-10 -94.5 26.32 3.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 75.52 110.889 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.75 . . . . 61.11 112.478 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.3 ptm . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.801 0.334 . . . . 75.44 110.888 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.416 HD22 ' HG3' ' A' ' 68' ' ' GLN . 54.3 tp -154.2 151.81 29.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 73.34 110.926 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -110.07 130.73 55.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 62.54 110.884 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 14.3 m -140.12 163.0 33.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 73.22 110.895 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -83.23 113.91 21.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 72.35 110.833 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.457 HG22 ' HA ' ' A' ' 44' ' ' SER . 60.2 t -109.49 104.03 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 64.43 111.167 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.1 p -176.68 169.96 2.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 72.21 110.855 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -143.65 132.29 22.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 52.12 111.087 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -144.11 152.87 41.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 73.53 110.905 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -95.62 64.69 2.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.074 -0.512 . . . . 63.12 110.912 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.81 -130.35 1.11 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 53.0 112.52 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -74.89 -76.71 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.342 . . . . 74.41 110.864 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.623 ' HA ' HG11 ' A' ' 41' ' ' VAL . 21.8 m-80 -162.83 122.77 2.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 75.2 110.884 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.6 p -77.05 164.03 26.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 65.13 110.896 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -127.49 118.4 23.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 74.21 110.874 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.404 ' HA ' ' HD2' ' A' ' 17' ' ' PRO . 37.3 t-20 -162.61 88.25 1.37 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.577 0.703 . . . . 74.34 110.913 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 16' ' ' ASN . 53.9 Cg_endo -69.71 118.1 5.48 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.661 2.241 . . . . 74.32 112.364 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -131.58 126.97 36.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 64.42 110.922 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -72.61 123.84 24.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 75.33 110.846 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.48 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 5.4 m -71.56 157.24 90.26 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.632 0.73 . . . . 75.11 110.906 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.48 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.3 Cg_endo -69.81 -171.82 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.706 2.271 . . . . 65.32 112.336 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.57 35.38 0.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 71.1 111.088 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.429 ' HG3' HG23 ' A' ' 24' ' ' VAL . 6.5 ptp -136.05 -29.36 1.01 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 73.35 110.871 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.691 HG11 ' HB3' ' A' ' 45' ' ' CYS . 72.5 t -92.94 146.0 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 41.53 111.162 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -147.36 42.49 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 65.14 111.107 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.401 ' CE2' ' HB3' ' A' ' 66' ' ' CYS . 0.7 OUTLIER -170.84 154.41 4.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.916 -179.876 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.1 m -111.73 137.26 49.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 64.34 110.878 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.7 ttt -120.87 137.54 54.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 41.22 110.899 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.479 HG23 ' HG2' ' A' ' 43' ' ' LYS . 47.3 m -141.81 113.26 7.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.27 -0.423 . . . . 74.34 111.149 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.3 m -102.57 97.55 7.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 61.23 111.116 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -95.73 96.14 8.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 73.21 110.879 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 87.0 m -96.02 131.21 42.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 73.13 111.168 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -135.04 109.87 8.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 71.14 110.951 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -89.12 -51.33 5.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 72.13 110.94 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.571 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -135.32 162.98 54.15 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.557 0.694 . . . . 63.31 111.124 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.571 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.9 Cg_endo -69.74 -1.92 9.27 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.69 2.26 . . . . 74.1 112.351 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.5 p -122.23 -3.76 8.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.444 . . . . 54.34 111.149 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.8 mmt-85 -146.97 114.77 6.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 71.4 110.86 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.67 168.75 19.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 61.52 110.898 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.51 144.64 21.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.423 . . . . 75.21 110.9 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.623 HG11 ' HA ' ' A' ' 13' ' ' ASN . 14.9 p -134.61 151.33 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 63.41 111.127 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 p -145.8 133.6 21.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 65.32 110.85 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.479 ' HG2' HG23 ' A' ' 29' ' ' THR . 20.2 mttm -135.77 141.61 44.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.129 -0.487 . . . . 74.41 110.902 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.457 ' HA ' HG22 ' A' ' 6' ' ' VAL . 1.4 p -166.43 174.57 8.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 64.02 110.86 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.691 ' HB3' HG11 ' A' ' 24' ' ' VAL . 17.6 m -93.6 132.7 37.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 34.01 110.897 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.408 ' C ' HG13 ' A' ' 24' ' ' VAL . 33.1 m -146.3 153.49 48.38 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.645 0.736 . . . . 74.32 111.119 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -45.29 1.63 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.708 2.272 . . . . 63.23 112.344 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.5 mtp85 -135.04 109.28 8.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 72.11 110.829 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.3 t -85.25 142.42 29.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 55.2 110.879 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -103.62 109.22 20.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 61.43 110.873 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -64.11 170.47 3.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 74.51 110.947 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.441 ' O ' HG23 ' A' ' 52' ' ' THR . 3.4 t -72.68 110.03 6.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 72.22 111.122 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 99.5 t -150.81 138.37 13.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 72.11 111.14 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -144.29 176.04 9.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.47 . . . . 74.55 110.926 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -147.49 35.93 0.88 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.131 -0.486 . . . . 65.42 110.861 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -105.45 -80.85 1.4 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.738 . . . . 72.42 112.485 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -146.2 -75.64 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.88 0.371 . . . . 73.14 110.924 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.3 t -163.38 115.2 1.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 53.24 110.864 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.1 91.78 1.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 73.53 110.911 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 33.1 p80 -104.71 29.96 5.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 64.41 110.898 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.46 6.83 28.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 51.44 111.089 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.1 m -156.01 124.01 5.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 71.31 110.875 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -127.4 137.44 52.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 73.21 111.144 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.0 m -114.78 123.58 49.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 61.03 111.123 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.0 m -105.46 124.38 49.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 65.11 110.867 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.401 ' HB3' ' CE2' ' A' ' 26' ' ' TYR . 2.1 m -122.37 149.22 44.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 71.03 110.89 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -165.5 173.26 11.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 73.35 110.918 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.416 ' HG3' HD22 ' A' ' 2' ' ' LEU . 25.6 tt0 -126.82 13.84 7.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 73.44 110.918 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.468 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 16.6 t80 -95.9 145.94 24.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 62.32 110.918 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -55.77 130.52 43.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 54.43 110.879 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.5 mt 48.16 32.91 3.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 71.21 110.963 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.468 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 31.6 p -66.23 -29.27 69.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 74.15 110.896 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 47.3 p-10 -92.46 27.47 2.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 52.24 110.835 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.775 -0.726 . . . . 72.15 112.486 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 mtt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.843 0.354 . . . . 65.5 110.876 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 27.9 tp -95.69 149.51 21.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 73.22 110.91 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.02 130.39 55.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 72.51 110.865 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.7 m -141.66 164.62 29.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 73.55 110.83 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -84.4 109.49 17.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 70.43 110.887 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.8 t -106.78 107.59 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 74.2 111.085 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 24.6 p -176.49 173.93 1.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 53.24 110.894 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.12 128.29 13.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 73.51 111.102 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -144.33 147.72 33.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 75.41 110.898 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.422 ' HA ' ' HA ' ' A' ' 40' ' ' LYS . 1.5 m-80 -94.04 66.09 3.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.519 . . . . 73.44 110.906 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.61 -136.91 2.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.747 . . . . 64.11 112.492 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -64.73 -77.23 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.84 0.352 . . . . 74.24 110.84 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.734 ' HA ' HG11 ' A' ' 41' ' ' VAL . 45.6 m-80 -162.34 124.19 2.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 74.34 110.929 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.1 p -76.49 157.69 31.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 63.45 110.915 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -130.34 118.56 21.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 75.14 110.874 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -162.64 83.89 1.54 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.631 0.729 . . . . 73.52 110.896 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 113.28 3.33 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.62 2.214 . . . . 73.04 112.333 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.5 tpt -133.1 139.01 46.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 72.11 110.908 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.0 tpp180 -73.91 135.18 43.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 74.32 110.895 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.511 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 4.4 m -77.02 158.03 80.64 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.626 0.727 . . . . 74.22 110.907 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.511 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.0 Cg_endo -69.75 177.51 5.5 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.634 2.223 . . . . 65.34 112.38 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.0 51.72 1.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 73.34 111.084 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 17.0 ptm -157.3 -39.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 74.25 110.889 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.687 HG11 ' HB3' ' A' ' 45' ' ' CYS . 24.4 t -79.62 143.23 12.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 71.44 111.149 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.23 32.07 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 54.32 111.136 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -160.71 149.07 16.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 63.42 110.956 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.0 m -104.7 129.68 52.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 65.24 110.873 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.4 ttp -108.86 136.72 47.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 43.31 110.884 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 64' ' ' THR . 92.2 m -139.04 123.07 17.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 75.4 111.146 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.2 m -120.98 100.92 7.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 54.34 111.183 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 -98.51 99.73 10.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 71.41 110.897 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -92.03 152.83 19.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 71.21 111.129 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -133.81 107.64 8.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 63.11 110.918 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -84.98 -65.4 1.01 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 74.51 110.96 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.565 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -122.52 161.83 41.48 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.593 0.711 . . . . 73.43 111.153 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.565 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.7 Cg_endo -69.8 -3.24 11.65 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.666 2.244 . . . . 70.03 112.342 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.05 -7.13 9.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 55.22 111.155 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.7 mtt180 -146.79 135.21 21.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 74.24 110.893 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.7 172.74 12.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 72.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 10' ' ' ASN . 7.8 ttpp -144.6 153.05 41.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 64.11 110.906 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.734 HG11 ' HA ' ' A' ' 13' ' ' ASN . 13.0 p -143.05 152.11 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 60.15 111.098 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.3 p -147.99 127.82 13.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 64.52 110.882 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -134.19 146.0 49.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.478 . . . . 72.25 110.894 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.3 p -165.76 169.75 14.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 55.12 110.8 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.687 ' HB3' HG11 ' A' ' 24' ' ' VAL . 2.1 m -93.3 122.33 35.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 73.21 110.909 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.566 ' O ' HG13 ' A' ' 24' ' ' VAL . 33.2 m -131.94 152.3 80.01 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.604 0.716 . . . . 73.22 111.178 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -41.63 4.15 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.673 2.248 . . . . 51.34 112.319 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.1 mtp-105 -134.24 124.66 26.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 75.35 110.899 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 53.3 t -130.86 144.5 51.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 41.32 110.92 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -137.79 156.43 47.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 75.41 110.888 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -64.82 155.73 33.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 75.43 110.866 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.564 HG23 ' HB ' ' A' ' 64' ' ' THR . 0.7 OUTLIER -74.67 119.02 18.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 75.14 111.121 -179.894 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 62.6 t -105.1 144.81 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 64.31 111.123 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -160.09 176.0 12.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 64.32 110.935 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -155.68 70.2 0.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 72.34 110.849 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.17 60.82 1.98 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.728 -0.748 . . . . 65.3 112.464 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -150.37 -40.81 0.13 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.945 0.402 . . . . 74.53 110.946 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.723 ' HB3' ' HB3' ' A' ' 61' ' ' ALA . 0.7 OUTLIER -157.76 101.1 1.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 63.01 110.828 -179.857 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -75.52 -81.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 75.33 110.88 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -100.91 29.06 4.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 74.54 110.843 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.723 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -86.79 -34.03 19.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 64.4 111.131 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 89.9 p -155.94 130.78 9.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 52.14 110.845 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.63 118.18 15.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.498 . . . . 54.35 111.133 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.564 ' HB ' HG23 ' A' ' 52' ' ' THR . 38.3 m -103.89 137.84 41.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 75.31 111.141 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.1 t -124.64 154.73 40.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 64.45 110.839 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 6.1 m -137.17 147.15 45.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 74.21 110.883 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.4 p -156.06 171.8 19.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 74.11 110.904 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -128.75 13.44 6.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 64.44 110.928 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.429 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 19.7 t80 -96.25 146.37 24.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 72.14 110.92 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -56.2 130.85 46.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 74.54 110.912 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 30.8 mt 48.35 34.11 4.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 63.31 110.912 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 28.7 p -65.51 -29.76 70.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 33.42 110.887 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 51.1 p-10 -93.48 25.46 3.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 65.13 110.911 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 72.34 112.48 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.851 0.358 . . . . 73.13 110.858 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 30.6 tp -93.35 149.73 21.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 51.31 110.909 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -107.69 131.2 54.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 44.4 110.901 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.6 m -145.71 157.92 43.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 72.35 110.925 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -82.98 104.33 13.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 71.43 110.845 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 51.1 t -99.49 106.67 19.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 51.54 111.128 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.9 p -174.9 164.88 3.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 73.23 110.91 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -141.62 128.01 19.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 62.51 111.093 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -144.79 146.97 32.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 75.0 110.922 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -87.63 65.3 8.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 74.03 110.896 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.39 -143.91 3.85 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 75.41 112.479 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -60.96 -76.4 0.05 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.817 0.341 . . . . 72.02 110.848 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.756 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -167.69 118.6 0.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.848 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.7 p -76.68 150.68 36.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 74.42 110.9 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -114.36 120.72 41.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 73.43 110.87 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -163.03 86.01 1.37 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.59 0.71 . . . . 74.31 110.896 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 115.2 3.98 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.739 2.293 . . . . 64.42 112.358 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.2 ttm -126.43 141.17 51.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 51.23 110.903 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -75.89 127.94 34.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 71.34 110.881 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.472 ' HB3' ' HB ' ' A' ' 24' ' ' VAL . 20.2 m -78.16 155.92 79.44 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.616 0.722 . . . . 63.11 110.854 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.462 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.6 Cg_endo -69.81 -169.43 0.33 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.693 2.262 . . . . 62.31 112.312 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.68 27.41 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 62.4 111.104 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -130.13 -21.6 2.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 75.24 110.93 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.615 HG11 ' HB3' ' A' ' 45' ' ' CYS . 14.8 t -95.32 140.9 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 74.42 111.139 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -138.9 9.4 2.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 74.24 111.1 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -147.04 155.07 41.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.262 -0.426 . . . . 63.04 110.93 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.8 m -104.91 142.29 35.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 60.03 110.906 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 21.8 ttm -117.09 142.38 47.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 74.32 110.859 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 87.8 m -145.6 104.34 3.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 72.13 111.132 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.0 m -101.9 99.43 9.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 72.02 111.129 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -97.94 101.16 12.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 73.52 110.9 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.7 m -88.71 156.32 19.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 45.42 111.14 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -133.86 102.62 5.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 74.45 110.923 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -84.83 -66.4 0.9 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 64.31 110.93 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.534 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -117.9 161.05 36.29 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.579 0.704 . . . . 75.23 111.104 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.534 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.5 Cg_endo -69.74 -4.98 15.1 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.716 2.277 . . . . 73.02 112.342 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.4 p -122.94 -4.1 8.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 73.52 111.135 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -145.11 133.44 21.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 75.32 110.887 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 8.8 ptm -138.85 176.09 9.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 72.24 110.863 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -145.32 151.24 38.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 74.33 110.874 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.756 HG11 ' HA ' ' A' ' 13' ' ' ASN . 11.8 p -136.83 153.05 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 75.2 111.136 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.39 112.86 4.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 75.54 110.876 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.449 ' HE2' HG21 ' A' ' 41' ' ' VAL . 21.0 mttm -121.54 147.52 45.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 75.34 110.879 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 62.1 p -164.95 178.88 6.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 73.54 110.862 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.615 ' HB3' HG11 ' A' ' 24' ' ' VAL . 21.4 m -99.28 133.07 44.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.9 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.525 ' O ' HG13 ' A' ' 24' ' ' VAL . 34.9 m -148.49 152.14 37.78 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.64 0.733 . . . . 75.03 111.149 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -47.29 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.645 2.23 . . . . 75.24 112.373 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 31.8 mtm180 -134.44 119.49 18.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 74.12 110.881 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 15.8 t -118.86 137.89 53.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 75.43 110.877 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -120.94 148.8 43.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 74.54 110.846 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.65 158.54 24.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 71.31 110.902 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.553 HG23 ' OG1' ' A' ' 64' ' ' THR . 0.7 OUTLIER -74.93 124.7 27.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 55.4 111.175 -179.892 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.2 p -102.92 144.82 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 74.43 111.124 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -160.1 159.33 31.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 73.13 110.924 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -165.21 81.78 0.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 62.23 110.867 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -164.02 -87.56 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.728 -0.748 . . . . 74.21 112.458 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -134.71 -75.97 0.46 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.924 0.392 . . . . 72.23 110.871 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.5 m -74.82 94.07 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 65.42 110.859 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -95.28 -8.92 34.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.497 . . . . 71.21 110.899 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 25.2 p-80 -107.14 29.01 7.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 62.44 110.884 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.35 -23.76 24.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 74.45 111.072 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.5 p -156.26 133.96 11.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 70.2 110.866 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.2 m -131.39 104.48 7.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 75.51 111.136 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.553 ' OG1' HG23 ' A' ' 52' ' ' THR . 80.6 m -94.15 109.75 21.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 71.41 111.163 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.9 t -95.96 146.07 24.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 62.33 110.84 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.2 m -135.37 141.29 45.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.509 . . . . 72.41 110.875 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -149.0 179.68 7.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 71.51 110.902 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -134.37 8.81 3.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 55.0 110.923 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -96.09 147.24 23.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 74.22 110.891 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -59.3 133.52 56.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 74.53 110.844 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 29.0 mt 49.14 32.58 4.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 73.01 110.868 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.7 p -65.59 -29.78 70.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 72.11 110.912 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.5 p-10 -93.96 25.56 3.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 74.01 110.866 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.725 -0.75 . . . . 51.05 112.467 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.4 tp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.818 0.342 . . . . 64.439999999999998 110.929 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.12 129.81 56.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 54.32 110.901 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 15.8 m -138.15 165.49 26.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 63.340000000000003 110.909 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -84.02 111.71 19.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 74.049999999999997 110.843 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.499 HG22 ' HA ' ' A' ' 44' ' ' SER . 69.8 t -108.61 105.57 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 70.430000000000007 111.119 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.6 p -175.29 178.51 1.67 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 63.43 110.898 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -151.95 133.88 14.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 63.109999999999999 111.087 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -146.95 153.29 39.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 73.340000000000003 110.938 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -95.06 63.38 2.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 73.230000000000004 110.864 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.95 -136.15 1.94 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 71.439999999999998 112.467 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -65.88 -76.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 75.310000000000002 110.866 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.733 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -166.78 124.3 1.31 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 74.239999999999995 110.937 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.0 p -75.83 167.67 21.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 74.319999999999993 110.87 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -132.26 118.36 19.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 65.140000000000001 110.907 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -160.85 83.14 2.0 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.605 0.717 . . . . 64.129999999999995 110.876 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 117.72 5.26 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.685 2.257 . . . . 64.329999999999998 112.345 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.9 tpp -139.04 134.35 32.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 64.420000000000002 110.917 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 -70.59 134.08 47.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 71.150000000000006 110.845 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.487 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 4.6 m -76.05 157.27 83.54 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.65 0.738 . . . . 72.319999999999993 110.85 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.487 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.0 Cg_endo -69.75 177.46 5.55 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.674 2.249 . . . . 70.540000000000006 112.336 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.47 54.37 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 44.030000000000001 111.138 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.5 ptm -157.88 -38.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 74.349999999999994 110.93 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.653 HG11 ' HB3' ' A' ' 45' ' ' CYS . 37.8 t -84.29 147.24 5.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 73.409999999999997 111.155 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -147.8 30.18 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 44.130000000000003 111.113 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -158.71 150.2 20.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 74.019999999999996 110.896 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.5 m -104.64 136.52 44.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.509 . . . . 70.549999999999997 110.878 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 12.0 ttt -117.25 142.05 47.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 61.210000000000001 110.904 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 94.8 m -145.7 110.99 5.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 60.310000000000002 111.133 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.3 m -106.26 102.66 12.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 74.530000000000001 111.181 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -97.3 103.79 15.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 61.509999999999998 110.891 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.586 HG23 ' OG ' ' A' ' 62' ' ' SER . 1.3 m -92.39 160.8 14.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 73.530000000000001 111.188 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -138.78 105.27 5.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 72.200000000000003 110.956 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -86.55 -65.14 1.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 72.420000000000002 110.961 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.563 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -124.19 161.98 44.35 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.58 0.705 . . . . 63.409999999999997 111.119 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.563 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.1 Cg_endo -69.8 -3.34 11.83 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.672 2.248 . . . . 44.25 112.319 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 66.5 p -119.61 -7.46 10.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 75.420000000000002 111.157 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 50.5 mtm180 -146.89 134.1 20.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 73.510000000000005 110.846 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -134.26 170.43 15.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 74.129999999999995 110.869 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -137.84 144.3 41.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 61.450000000000003 110.896 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.733 HG11 ' HA ' ' A' ' 13' ' ' ASN . 12.9 p -139.06 150.48 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 62.219999999999999 111.144 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.44 130.68 16.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 75.129999999999995 110.896 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.3 mttm -135.14 144.4 47.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 74.230000000000004 110.874 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.499 ' HA ' HG22 ' A' ' 6' ' ' VAL . 5.1 p -165.39 178.55 6.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 64.519999999999996 110.877 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.653 ' HB3' HG11 ' A' ' 24' ' ' VAL . 3.8 m -100.64 122.67 43.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 55.420000000000002 110.872 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.479 ' O ' HG13 ' A' ' 24' ' ' VAL . 33.3 m -136.12 152.91 76.27 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.616 0.722 . . . . 74.310000000000002 111.13 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -44.66 1.95 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.727 2.285 . . . . 71.329999999999998 112.305 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -133.96 126.21 29.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 74.510000000000005 110.838 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.9 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 73.049999999999997 110.859 -179.957 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.586 ' OG ' HG23 ' A' ' 32' ' ' THR . 23.4 m . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.936 0.398 . . . . 64.200000000000003 110.909 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.1 p -143.97 114.27 7.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 51.020000000000003 111.116 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 28.7 m -94.73 126.31 39.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 72.150000000000006 111.13 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.1 m -109.21 149.11 29.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.452 . . . . 71.010000000000005 110.846 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 2.8 m -136.07 144.25 45.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 70.400000000000006 110.873 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.3 p -156.61 170.39 22.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 74.450000000000003 110.864 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.1 tm0? -127.35 12.83 7.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 74.450000000000003 110.888 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.415 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 16.6 t80 -96.08 145.01 25.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 71.239999999999995 110.914 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -56.19 130.35 43.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 70.340000000000003 110.861 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.8 mt 50.02 33.62 7.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 74.109999999999999 110.936 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.415 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 28.0 p -65.61 -29.63 70.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 72.299999999999997 110.861 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 50.5 p-10 -93.58 25.8 3.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 74.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 71.030000000000001 112.493 180.0 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 25.5 tp . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.829 0.347 . . . . 65.329999999999998 110.928 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.37 139.96 53.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 74.420000000000002 110.882 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m -155.19 172.46 18.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 72.310000000000002 110.819 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -84.01 112.12 19.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 65.420000000000002 110.846 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.479 HG13 ' HA ' ' A' ' 44' ' ' SER . 97.4 t -109.86 105.84 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 63.329999999999998 111.126 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.6 p -176.32 -177.75 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 45.399999999999999 110.921 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -153.95 132.14 11.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 75.219999999999999 111.075 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -145.13 150.89 37.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 65.109999999999999 110.937 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -91.19 64.21 5.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 72.319999999999993 110.884 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.74 -134.74 1.69 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.733 -0.746 . . . . 70.450000000000003 112.5 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -70.07 -75.5 0.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.799 0.333 . . . . 72.530000000000001 110.901 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.771 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -165.23 122.51 1.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 72.109999999999999 110.861 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.6 p -76.6 153.61 35.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 73.319999999999993 110.936 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -119.29 117.51 28.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 72.420000000000002 110.883 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -161.33 85.64 1.72 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.671 0.748 . . . . 70.150000000000006 110.9 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 124.97 11.6 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.615 2.21 . . . . 73.439999999999998 112.362 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -145.42 137.41 25.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 63.020000000000003 110.815 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -75.37 132.22 40.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 72.010000000000005 110.884 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.474 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 6.6 m -75.01 156.45 86.09 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.736 . . . . 64.230000000000004 110.874 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.474 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.7 Cg_endo -69.75 -175.28 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.621 2.214 . . . . 61.439999999999998 112.349 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.52 50.22 1.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 53.439999999999998 111.134 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.0 ptt? -152.25 -36.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 74.439999999999998 110.882 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.575 HG11 ' HB3' ' A' ' 45' ' ' CYS . 41.3 t -80.87 148.21 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 70.549999999999997 111.102 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -146.36 20.46 1.37 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 71.549999999999997 111.106 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -157.67 147.26 20.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 74.109999999999999 110.926 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 5.4 m -104.29 125.62 50.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 74.109999999999999 110.884 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 13.5 ttm -101.47 139.67 36.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 73.150000000000006 110.871 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 97.7 m -140.23 113.01 8.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 72.530000000000001 111.114 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.436 HG23 ' OG1' ' A' ' 64' ' ' THR . 1.0 OUTLIER -112.63 99.58 8.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 61.030000000000001 111.134 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -96.08 96.93 9.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 73.219999999999999 110.855 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.1 m -92.16 142.58 27.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 42.109999999999999 111.169 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -145.69 127.84 15.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 73.239999999999995 110.936 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -106.45 -41.21 5.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 64.040000000000006 110.925 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.564 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -133.23 161.63 62.61 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.518 0.675 . . . . 71.219999999999999 111.189 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.564 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.6 Cg_endo -69.75 -4.53 14.21 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.704 2.27 . . . . 63.439999999999998 112.302 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.0 p -124.91 -2.81 7.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 64.310000000000002 111.137 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -140.77 114.31 8.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 74.140000000000001 110.874 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.99 172.67 12.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 73.140000000000001 110.929 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -150.64 148.13 28.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 74.329999999999998 110.922 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.771 HG11 ' HA ' ' A' ' 13' ' ' ASN . 10.7 p -131.9 154.27 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 74.140000000000001 111.178 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.2 p -147.88 127.34 13.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 73.200000000000003 110.882 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.441 ' HE2' HG21 ' A' ' 41' ' ' VAL . 25.5 mttm -134.73 138.93 44.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 73.239999999999995 110.885 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.479 ' HA ' HG13 ' A' ' 6' ' ' VAL . 53.2 p -158.39 173.33 16.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 23.300000000000001 110.858 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.575 ' HB3' HG11 ' A' ' 24' ' ' VAL . 1.7 m -103.37 121.48 42.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 71.129999999999995 110.881 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.43 ' O ' HG13 ' A' ' 24' ' ' VAL . 32.8 m -140.6 151.8 64.46 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.666 0.746 . . . . 62.420000000000002 111.131 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -47.13 0.99 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.683 2.255 . . . . 74.439999999999998 112.319 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 -106.22 141.54 37.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.422 . . . . 71.400000000000006 110.867 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 18.6 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 61.439999999999998 110.857 -179.924 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.992 0.425 . . . . 64.25 110.855 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -116.23 99.39 7.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 71.530000000000001 111.156 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.436 ' OG1' HG23 ' A' ' 30' ' ' THR . 4.1 m -98.21 121.47 40.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 73.420000000000002 111.152 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.6 m -135.78 143.98 45.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 52.109999999999999 110.892 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 27' ' ' CYS . 8.0 m -120.89 172.51 7.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 74.409999999999997 110.858 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -164.11 179.48 6.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 71.299999999999997 110.897 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -133.32 10.86 4.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 52.229999999999997 110.891 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.407 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 24.3 t80 -96.53 147.18 24.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 74.329999999999998 110.931 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -57.98 132.42 53.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.12 -0.491 . . . . 61.240000000000002 110.863 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.0 mt 48.81 32.97 3.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 75.019999999999996 110.918 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.407 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 29.4 p -66.29 -28.22 68.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 70.340000000000003 110.863 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 51.9 p-10 -93.74 26.67 3.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 52.520000000000003 110.901 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.779 -0.724 . . . . 72.420000000000002 112.479 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 21.0 tp . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.821 0.343 . . . . 64.409999999999997 110.929 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -119.86 130.67 54.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 72.430000000000007 110.92 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.4 m -139.44 167.43 22.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 74.310000000000002 110.842 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -84.05 112.5 20.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 73.310000000000002 110.87 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.477 HG22 ' HA ' ' A' ' 44' ' ' SER . 93.8 t -109.53 105.05 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 62.32 111.13 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.1 p -176.78 163.49 2.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 54.420000000000002 110.914 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -136.0 130.4 33.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 62.0 111.092 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -144.75 148.37 34.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 65.540000000000006 110.907 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.401 ' HA ' ' HA ' ' A' ' 40' ' ' LYS . 5.2 m-20 -95.44 63.66 2.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 73.25 110.889 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.52 -139.53 2.66 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 25.34 112.481 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -61.57 -77.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 73.109999999999999 110.867 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.811 ' HA ' HG11 ' A' ' 41' ' ' VAL . 5.4 m-80 -166.01 125.15 1.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 72.109999999999999 110.913 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.9 p -77.33 166.84 22.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 32.210000000000001 110.88 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -136.29 117.46 14.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 71.439999999999998 110.869 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -160.94 83.42 1.95 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.615 0.721 . . . . 73.349999999999994 110.886 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 113.47 3.38 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.682 2.254 . . . . 72.329999999999998 112.375 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 35.0 tpp -135.14 134.49 40.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 75.219999999999999 110.868 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 -71.46 134.86 46.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 75.450000000000003 110.886 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.531 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 4.6 m -76.86 158.45 80.46 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.639 0.733 . . . . 74.519999999999996 110.869 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.531 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.4 Cg_endo -69.74 177.46 5.54 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.684 2.256 . . . . 41.420000000000002 112.365 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.05 53.62 1.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 75.209999999999994 111.138 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.431 ' HG2' ' HG2' ' A' ' 21' ' ' PRO . 9.5 ptp -157.74 -35.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 73.230000000000004 110.938 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.722 HG11 ' HB3' ' A' ' 45' ' ' CYS . 39.3 t -87.92 142.52 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 50.409999999999997 111.091 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -144.23 33.61 1.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 75.239999999999995 111.12 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -160.28 147.33 15.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 73.230000000000004 110.883 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.5 m -104.09 136.1 44.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 71.549999999999997 110.869 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.7 ttt -114.8 143.74 44.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 72.239999999999995 110.836 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 99.3 m -145.34 108.44 4.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 71.140000000000001 111.101 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.6 m -105.09 99.06 8.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 64.5 111.136 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -98.14 104.43 16.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 72.329999999999998 110.921 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.589 HG23 ' OG ' ' A' ' 62' ' ' SER . 24.4 m -92.75 153.48 18.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 74.310000000000002 111.143 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -133.15 101.37 5.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 73.209999999999994 110.919 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -84.25 -68.84 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 75.340000000000003 110.953 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.533 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -115.12 160.68 33.0 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.55 0.691 . . . . 63.399999999999999 111.153 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.533 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.7 Cg_endo -69.82 -4.56 14.32 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.666 2.244 . . . . 73.010000000000005 112.392 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 69.2 p -124.07 -3.67 8.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 62.130000000000003 111.162 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.4 mtp85 -145.18 128.12 16.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 74.120000000000005 110.901 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 6.4 ptp -139.54 170.08 16.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 63.100000000000001 110.872 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 10' ' ' ASN . 21.2 ttpp -140.18 155.97 46.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 64.040000000000006 110.896 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.811 HG11 ' HA ' ' A' ' 13' ' ' ASN . 12.6 p -144.98 149.39 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 42.43 111.099 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 p -144.22 127.58 16.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 72.439999999999998 110.864 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -130.32 145.82 51.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 61.229999999999997 110.874 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.477 ' HA ' HG22 ' A' ' 6' ' ' VAL . 75.9 p -166.13 174.21 9.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 74.209999999999994 110.865 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.722 ' HB3' HG11 ' A' ' 24' ' ' VAL . 7.4 m -96.99 122.0 39.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 73.140000000000001 110.865 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.537 ' O ' HG13 ' A' ' 24' ' ' VAL . 33.8 m -131.89 152.85 81.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.654 0.74 . . . . 63.409999999999997 111.137 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -47.13 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.66 2.24 . . . . 71.109999999999999 112.349 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 46.7 mmt-85 -134.23 119.68 19.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 75.530000000000001 110.922 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 32.7 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 72.329999999999998 110.906 -179.971 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.589 ' OG ' HG23 ' A' ' 32' ' ' THR . 26.0 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.968 0.413 . . . . 70.209999999999994 110.822 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.4 118.94 21.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 64.019999999999996 111.13 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.3 m -94.89 111.21 23.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 75.120000000000005 111.148 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.7 m -96.91 137.39 36.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 71.25 110.813 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.6 m -128.16 139.83 52.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 75.099999999999994 110.878 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.4 p -154.98 169.83 23.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 60.32 110.89 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -127.18 13.14 7.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 72.409999999999997 110.951 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.425 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 17.2 t80 -95.92 145.7 25.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 74.450000000000003 110.924 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -56.57 130.92 47.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 74.219999999999999 110.902 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 31.5 mt 49.06 33.53 4.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 75.530000000000001 110.866 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.425 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 28.8 p -65.38 -28.73 69.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 63.350000000000001 110.906 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 51.0 p-10 -93.79 25.66 3.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 73.109999999999999 110.857 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.692 -0.766 . . . . 72.310000000000002 112.495 179.975 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.6 tp . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.825 0.345 . . . . 62.509999999999998 110.921 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.64 137.63 54.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 63.130000000000003 110.835 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 29.7 m -143.13 161.51 38.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 72.120000000000005 110.869 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -84.29 111.49 19.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 75.5 110.868 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.509 HG22 ' HA ' ' A' ' 44' ' ' SER . 21.7 t -108.21 110.17 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 72.319999999999993 111.126 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.7 p -178.64 -176.92 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 54.149999999999999 110.894 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -153.61 132.47 12.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 63.420000000000002 111.126 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -144.41 153.9 42.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 74.329999999999998 110.88 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.409 ' HA ' ' HA ' ' A' ' 40' ' ' LYS . 6.9 m-20 -95.5 75.73 3.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 72.409999999999997 110.908 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 178.43 -139.71 4.22 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 54.200000000000003 112.469 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -57.78 -76.67 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.851 0.358 . . . . 71.120000000000005 110.895 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.703 ' OD1' HG21 ' A' ' 41' ' ' VAL . 13.3 m-80 -166.96 132.94 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 74.420000000000002 110.914 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.9 p -76.46 171.2 15.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 74.109999999999999 110.9 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -138.32 114.11 9.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 73.239999999999995 110.931 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -161.62 80.62 2.0 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.582 0.706 . . . . 54.219999999999999 110.872 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.503 ' HB3' HD22 ' A' ' 71' ' ' LEU . 54.1 Cg_endo -69.69 115.6 4.16 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.69 2.26 . . . . 70.109999999999999 112.364 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 47.6 mmm -129.04 144.43 51.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 74.019999999999996 110.897 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -75.59 127.7 33.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 72.409999999999997 110.868 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.478 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 17.0 m -76.43 156.28 83.43 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.586 0.707 . . . . 72.310000000000002 110.902 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.478 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.6 Cg_endo -69.73 -173.42 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.649 2.232 . . . . 72.430000000000007 112.411 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.0 52.97 2.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 55.5 111.094 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.6 ptm -156.66 -36.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 64.439999999999998 110.881 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.626 HG11 ' HB3' ' A' ' 45' ' ' CYS . 9.4 t -79.91 139.32 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 64.109999999999999 111.136 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.31 7.81 2.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 73.420000000000002 111.097 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -145.31 154.3 42.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.231 -0.44 . . . . 73.099999999999994 110.934 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.7 m -103.95 141.44 36.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 62.530000000000001 110.879 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.2 ttt -116.26 138.34 51.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 64.010000000000005 110.834 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 67.8 m -142.71 110.34 5.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 51.020000000000003 111.134 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 54.2 m -106.94 99.95 9.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 43.149999999999999 111.129 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -98.1 99.44 10.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 71.409999999999997 110.891 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 48.0 m -94.35 150.86 19.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 75.340000000000003 111.143 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -134.81 106.2 6.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 75.530000000000001 110.919 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -84.66 -63.2 1.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 73.439999999999998 110.892 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.511 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -115.97 160.21 36.23 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.615 0.721 . . . . 72.239999999999995 111.137 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.511 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.5 Cg_endo -69.82 -3.49 12.15 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.622 2.215 . . . . 64.140000000000001 112.329 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.7 p -126.28 -1.82 6.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 72.099999999999994 111.133 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.9 mtp-105 -146.44 133.47 20.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 71.150000000000006 110.855 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 7.9 ptp -146.5 178.08 8.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 74.099999999999994 110.895 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 10' ' ' ASN . 0.2 OUTLIER -152.68 136.54 16.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 71.349999999999994 110.902 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.703 HG21 ' OD1' ' A' ' 13' ' ' ASN . 12.6 p -126.88 146.15 33.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 75.120000000000005 111.099 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 p -139.11 133.57 31.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 75.030000000000001 110.869 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -136.25 147.03 47.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 44.329999999999998 110.896 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.509 ' HA ' HG22 ' A' ' 6' ' ' VAL . 27.1 p -165.99 175.63 8.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 71.310000000000002 110.822 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.626 ' HB3' HG11 ' A' ' 24' ' ' VAL . 11.0 m -93.9 136.95 33.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.071 -0.513 . . . . 34.43 110.91 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.533 ' O ' HG13 ' A' ' 24' ' ' VAL . 34.3 m -150.11 152.26 33.44 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.718 . . . . 73.510000000000005 111.153 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -48.07 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 54.539999999999999 112.338 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 27.9 mtp180 -134.75 121.92 21.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 71.310000000000002 110.933 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 29.7 t . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 63.200000000000003 110.885 -179.943 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.3 p . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.906 0.384 . . . . 72.439999999999998 110.869 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.82 107.82 9.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 55.100000000000001 111.118 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 98.3 m -95.29 118.54 32.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 62.310000000000002 111.173 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.4 p -106.4 148.89 27.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 41.009999999999998 110.847 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.9 m -137.6 144.72 42.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 74.040000000000006 110.912 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -148.78 177.0 9.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 51.439999999999998 110.862 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -130.18 8.26 5.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 71.329999999999998 110.927 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -95.8 147.3 23.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 64.120000000000005 110.912 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -61.14 134.54 57.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 70.040000000000006 110.823 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.503 HD22 ' HB3' ' A' ' 17' ' ' PRO . 15.7 mt 49.99 31.09 4.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 63.229999999999997 110.9 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.3 p -65.33 -30.43 71.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 64.5 110.842 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 51.1 p-10 -94.69 25.6 3.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 54.420000000000002 110.902 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 54.299999999999997 112.491 179.97 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.5 tp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.855 0.36 . . . . 74.450000000000003 110.895 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -122.61 135.17 54.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 71.109999999999999 110.867 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.5 m -139.93 165.31 27.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 44.219999999999999 110.837 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -82.99 113.87 20.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 71.310000000000002 110.836 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.461 HG22 ' HA ' ' A' ' 44' ' ' SER . 77.1 t -109.15 103.76 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 75.120000000000005 111.126 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.6 p -176.05 166.21 2.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 55.310000000000002 110.856 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -141.9 131.01 23.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 70.129999999999995 111.115 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -144.75 149.94 36.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 73.0 110.949 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -92.0 64.08 4.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 74.25 110.865 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.03 -135.29 1.79 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 63.020000000000003 112.46 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -67.22 -78.52 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.824 0.345 . . . . 53.240000000000002 110.87 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.801 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.4 OUTLIER -168.08 120.74 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 71.129999999999995 110.892 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.1 p -77.23 160.18 29.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 74.430000000000007 110.847 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -122.26 121.5 36.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 62.509999999999998 110.879 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -162.77 87.82 1.35 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.564 0.697 . . . . 64.040000000000006 110.874 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 121.23 7.92 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.654 2.236 . . . . 60.210000000000001 112.309 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -132.8 132.64 42.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 73.219999999999999 110.863 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -74.59 122.24 22.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 73.209999999999994 110.886 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.445 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 4.7 m -72.64 156.28 90.23 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.66 0.743 . . . . 74.25 110.889 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.445 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.1 Cg_endo -69.71 -167.81 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.702 2.268 . . . . 43.420000000000002 112.343 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.16 39.91 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 75.200000000000003 111.096 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 17.3 ptm -141.28 -31.18 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 61.109999999999999 110.895 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.593 HG11 ' HB3' ' A' ' 45' ' ' CYS . 6.1 t -88.81 139.6 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 71.519999999999996 111.096 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -138.98 10.83 2.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 65.450000000000003 111.113 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -145.16 151.32 38.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 72.209999999999994 110.917 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.2 m -104.35 139.72 38.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 72.129999999999995 110.905 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.8 ttp -115.29 140.01 49.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 64.219999999999999 110.886 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 85.8 m -144.26 110.21 5.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 72.209999999999994 111.168 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.2 m -108.4 100.99 10.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 64.010000000000005 111.11 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -97.26 97.57 9.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 74.450000000000003 110.869 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.0 m -81.34 159.18 24.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 42.25 111.146 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -133.85 105.73 6.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 62.539999999999999 110.907 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -91.65 -75.1 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 74.540000000000006 110.96 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.527 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -111.09 160.63 28.29 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.633 0.73 . . . . 74.150000000000006 111.13 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.527 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.6 Cg_endo -69.78 -4.56 14.28 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.69 2.26 . . . . 52.340000000000003 112.345 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.1 p -123.52 -4.69 8.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 73.329999999999998 111.19 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.4 mmt-85 -145.84 123.58 11.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 75.239999999999995 110.85 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 4.3 ptp -126.73 174.06 9.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 60.009999999999998 110.916 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -137.66 147.96 45.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 61.409999999999997 110.906 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.801 HG11 ' HA ' ' A' ' 13' ' ' ASN . 9.3 p -140.57 147.43 23.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 65.430000000000007 111.17 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -145.33 130.05 18.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 73.140000000000001 110.88 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -135.07 145.32 47.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 62.039999999999999 110.862 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.461 ' HA ' HG22 ' A' ' 6' ' ' VAL . 2.4 p -165.24 177.6 7.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 64.239999999999995 110.83 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.593 ' HB3' HG11 ' A' ' 24' ' ' VAL . 4.0 m -99.94 135.62 41.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 53.340000000000003 110.902 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.509 ' O ' HG13 ' A' ' 24' ' ' VAL . 34.2 m -150.05 152.0 33.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.604 0.716 . . . . 72.420000000000002 111.154 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.403 ' HB2' ' HD2' ' A' ' 48' ' ' ARG . 53.4 Cg_endo -69.84 -46.19 1.28 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.65 2.233 . . . . 75.230000000000004 112.34 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.403 ' HD2' ' HB2' ' A' ' 47' ' ' PRO . 0.3 OUTLIER -133.7 127.69 33.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 74.230000000000004 110.888 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.4 t . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 74.299999999999997 110.888 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.87 0.366 . . . . 74.239999999999995 110.897 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.2 m -107.63 109.8 21.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 73.329999999999998 111.141 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.4 m -94.76 106.53 18.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 55.020000000000003 111.158 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.95 140.75 31.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 75.140000000000001 110.834 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.0 m -130.61 139.77 50.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 70.109999999999999 110.866 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -147.24 178.1 8.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 72.540000000000006 110.887 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -131.58 7.82 4.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 72.420000000000002 110.905 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -96.1 147.79 23.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 64.420000000000002 110.943 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -61.45 134.9 57.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 71.510000000000005 110.899 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 37.2 mt 50.05 30.59 4.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 70.25 110.897 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.2 p -65.4 -27.7 68.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 64.129999999999995 110.881 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 49.7 p-10 -93.15 26.05 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 72.400000000000006 110.924 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 71.010000000000005 112.513 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 15.1 tp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.81 0.338 . . . . 63.140000000000001 110.893 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -118.5 132.58 56.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.469 . . . . 64.329999999999998 110.892 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 15.0 m -138.44 164.55 29.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 63.420000000000002 110.892 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -83.89 112.42 20.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 75.519999999999996 110.876 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.504 HG22 ' HA ' ' A' ' 44' ' ' SER . 73.6 t -110.46 106.97 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 74.329999999999998 111.142 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.0 p -175.92 -177.82 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 61.439999999999998 110.852 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -155.19 134.55 12.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 64.129999999999995 111.075 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.441 ' O ' HG12 ' A' ' 41' ' ' VAL . 66.5 t80 -149.45 151.04 33.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 75.120000000000005 110.948 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -93.05 66.07 4.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 73.010000000000005 110.927 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.75 -138.89 2.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 72.340000000000003 112.537 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -64.03 -74.32 0.1 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.823 0.344 . . . . 72.239999999999995 110.89 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.7 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -166.61 125.69 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 74.420000000000002 110.85 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.0 p -75.94 165.84 24.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 74.129999999999995 110.919 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -133.31 117.78 17.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 65.519999999999996 110.902 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -160.85 83.93 1.94 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.597 0.713 . . . . 73.349999999999994 110.889 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 116.0 4.36 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.668 2.245 . . . . 72.219999999999999 112.331 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 32.0 tpp -134.31 134.19 41.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 74.420000000000002 110.89 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 -71.44 130.02 40.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 74.310000000000002 110.833 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.501 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 4.9 m -76.19 157.81 82.64 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.626 0.726 . . . . 63.109999999999999 110.879 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.501 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.7 Cg_endo -69.83 -169.61 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.247 . . . . 71.530000000000001 112.288 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.14 41.64 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 70.439999999999998 111.099 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.4 ptp -143.84 -28.07 0.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 54.210000000000001 110.892 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.637 HG11 ' HB3' ' A' ' 45' ' ' CYS . 5.8 t -94.39 138.15 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 71.420000000000002 111.103 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.55 6.34 3.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 53.149999999999999 111.089 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -139.99 154.51 47.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 70.340000000000003 110.908 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.4 m -104.54 137.07 42.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 61.530000000000001 110.819 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.2 ttm -113.14 139.67 48.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 72.510000000000005 110.864 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.474 ' O ' HG23 ' A' ' 64' ' ' THR . 85.7 m -141.94 129.64 21.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 74.109999999999999 111.138 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.6 m -126.09 99.4 5.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 63.109999999999999 111.169 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -97.69 100.23 11.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 65.319999999999993 110.859 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.404 HG21 ' CZ ' ' A' ' 34' ' ' TYR . 99.3 m -95.95 143.96 26.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 71.019999999999996 111.154 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -139.24 122.4 16.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 64.120000000000005 110.923 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.404 ' CZ ' HG21 ' A' ' 32' ' ' THR . 45.4 m-85 -105.02 -49.66 3.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 74.430000000000007 110.896 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.522 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -129.96 160.98 62.48 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.556 0.693 . . . . 74.25 111.169 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.522 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 54.0 Cg_endo -69.71 -5.39 16.06 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.672 2.248 . . . . 72.25 112.354 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.3 p -123.83 -1.7 8.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 74.340000000000003 111.135 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -143.98 115.53 8.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 73.010000000000005 110.856 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.4 ptp -132.78 167.65 19.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 63.520000000000003 110.91 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -142.78 138.89 30.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 71.239999999999995 110.894 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.7 HG11 ' HA ' ' A' ' 13' ' ' ASN . 7.3 p -133.58 151.3 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 73.5 111.169 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 p -152.67 132.12 12.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 73.129999999999995 110.879 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -135.45 149.28 49.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 62.450000000000003 110.878 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.504 ' HA ' HG22 ' A' ' 6' ' ' VAL . 86.1 p -165.62 175.71 8.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 74.219999999999999 110.892 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.637 ' HB3' HG11 ' A' ' 24' ' ' VAL . 1.8 m -98.66 137.67 36.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 62.310000000000002 110.858 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.558 ' O ' HG13 ' A' ' 24' ' ' VAL . 35.2 m -146.91 152.61 44.46 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.659 0.742 . . . . 74.049999999999997 111.108 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -42.86 3.02 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.696 2.264 . . . . 62.229999999999997 112.326 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -133.64 130.65 38.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 73.540000000000006 110.838 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 27.4 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 62.149999999999999 110.85 -179.957 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.957 0.408 . . . . 54.329999999999998 110.847 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.47 133.23 54.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 61.43 111.163 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.474 HG23 ' O ' ' A' ' 29' ' ' THR . 23.3 m -112.34 134.83 53.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.438 . . . . 72.099999999999994 111.1 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.3 m -124.39 138.28 54.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 74.340000000000003 110.85 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.2 m -127.35 159.09 35.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 72.239999999999995 110.841 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -163.13 179.81 7.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 64.25 110.845 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -133.77 10.36 3.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 71.340000000000003 110.949 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -96.81 146.86 24.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 64.25 110.937 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -57.71 131.83 51.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 71.5 110.898 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 29.7 mt 49.82 32.86 5.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 70.420000000000002 110.898 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.1 p -65.66 -29.95 70.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 72.420000000000002 110.922 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 50.9 p-10 -93.06 25.67 3.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 71.239999999999995 110.941 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.738 . . . . 61.020000000000003 112.494 179.973 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 53.0 tp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.805 0.336 . . . . 64.310000000000002 110.909 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -110.72 134.97 52.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 72.239999999999995 110.866 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m -156.25 171.89 19.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 75.140000000000001 110.861 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -83.7 109.59 17.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 63.5 110.885 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.411 HG22 ' HA ' ' A' ' 44' ' ' SER . 84.8 t -108.87 103.22 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 60.119999999999997 111.101 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.6 p -170.41 -178.13 2.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 64.329999999999998 110.873 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -153.13 134.25 14.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 74.200000000000003 111.084 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -148.27 150.93 34.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 71.040000000000006 110.925 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -95.81 63.79 2.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 73.019999999999996 110.853 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.81 -134.76 1.7 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 71.150000000000006 112.482 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -66.32 -79.5 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.828 0.346 . . . . 62.229999999999997 110.921 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.707 ' HA ' HG11 ' A' ' 41' ' ' VAL . 14.5 m120 -160.29 125.12 3.83 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.172 -0.467 . . . . 73.140000000000001 110.868 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.9 p -77.1 159.21 29.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 62.439999999999998 110.863 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -130.7 118.01 20.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 74.120000000000005 110.896 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -163.31 85.22 1.35 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.638 0.732 . . . . 75.510000000000005 110.902 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 113.89 3.51 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.713 2.275 . . . . 64.409999999999997 112.376 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -136.9 142.55 42.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 63.240000000000002 110.887 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -77.21 136.3 38.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 74.219999999999999 110.883 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.486 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 5.7 m -76.32 156.88 83.38 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.637 0.732 . . . . 72.519999999999996 110.866 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.486 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.1 Cg_endo -69.73 171.79 13.79 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.741 2.294 . . . . 64.329999999999998 112.346 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.65 57.74 1.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 45.420000000000002 111.055 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.425 ' HG2' ' HG2' ' A' ' 21' ' ' PRO . 2.9 ptt? -157.85 -36.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 74.099999999999994 110.863 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.512 HG12 ' H ' ' A' ' 26' ' ' TYR . 12.2 t -93.79 155.33 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 72.230000000000004 111.116 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -151.31 28.69 0.65 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 73.349999999999994 111.09 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.512 ' H ' HG12 ' A' ' 24' ' ' VAL . 53.9 m-85 -152.17 142.76 22.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 63.310000000000002 110.92 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.3 m -104.94 127.97 53.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 71.420000000000002 110.941 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.9 ttp -115.99 140.73 48.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 61.020000000000003 110.871 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.448 HG23 ' HG2' ' A' ' 43' ' ' LYS . 55.2 m -138.44 115.37 10.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 73.109999999999999 111.107 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -104.05 98.93 8.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 43.310000000000002 111.16 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -95.87 98.81 10.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 71.030000000000001 110.841 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.419 HG21 ' CE2' ' A' ' 34' ' ' TYR . 90.3 m -85.87 142.52 28.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 65.420000000000002 111.142 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -135.64 105.83 6.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 71.239999999999995 110.893 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.419 ' CE2' HG21 ' A' ' 32' ' ' THR . 30.8 m-85 -97.64 -68.15 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 74.209999999999994 110.952 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.549 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -118.1 160.84 37.56 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.536 0.684 . . . . 75.510000000000005 111.162 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.549 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.7 Cg_endo -69.78 -3.99 13.13 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.648 2.232 . . . . 64.450000000000003 112.371 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 56.6 p -124.75 -2.93 7.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 63.32 111.155 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 42.7 mtt-85 -145.23 122.25 11.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 70.230000000000004 110.885 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.63 177.74 8.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 73.439999999999998 110.889 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -152.76 149.72 28.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 72.219999999999999 110.908 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.707 HG11 ' HA ' ' A' ' 13' ' ' ASN . 12.4 p -142.55 150.94 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 73.409999999999997 111.138 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.9 p -146.59 133.51 20.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 73.209999999999994 110.876 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.448 ' HG2' HG23 ' A' ' 29' ' ' THR . 34.0 mttm -135.97 133.11 37.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 73.040000000000006 110.867 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.411 ' HA ' HG22 ' A' ' 6' ' ' VAL . 4.9 p -166.44 165.05 17.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 52.020000000000003 110.821 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.454 ' HB3' HG11 ' A' ' 24' ' ' VAL . 91.1 m -86.77 121.24 29.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 61.200000000000003 110.904 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.481 ' C ' HG13 ' A' ' 24' ' ' VAL . 33.2 m -124.71 152.02 68.72 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.636 0.731 . . . . 70.120000000000005 111.114 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -48.81 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.663 2.242 . . . . 35.219999999999999 112.366 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 27.5 mmm-85 -107.4 146.99 30.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 75.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 71.120000000000005 110.84 -179.923 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 96.6 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.93 0.395 . . . . 74.409999999999997 110.888 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.6 m -91.15 133.41 35.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 61.340000000000003 111.179 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.78 129.95 55.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 71.540000000000006 111.137 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.8 m -121.98 135.83 54.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 74.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 22.1 m -118.23 148.09 42.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 71.310000000000002 110.869 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 p -159.57 175.06 13.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 71.439999999999998 110.865 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -137.17 14.08 3.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 53.439999999999998 110.912 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.404 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 21.9 t80 -96.76 147.34 24.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 75.329999999999998 110.957 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -54.59 128.76 33.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 64.040000000000006 110.877 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.3 mt 49.03 35.36 6.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 53.219999999999999 110.951 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.404 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 28.0 p -65.5 -28.27 69.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 73.420000000000002 110.884 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.5 p-10 -94.85 25.57 4.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 72.329999999999998 110.885 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.745 -0.741 . . . . 74.25 112.481 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 26.6 tp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.824 0.345 . . . . 70.5 110.882 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.6 128.23 50.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 72.329999999999998 110.848 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.6 m -137.75 164.28 29.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 63.409999999999997 110.917 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -83.1 102.17 11.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 73.019999999999996 110.891 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.491 HG22 ' HA ' ' A' ' 44' ' ' SER . 85.9 t -99.88 113.18 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 64.319999999999993 111.136 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.4 p -178.55 171.83 1.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 60.409999999999997 110.876 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -144.86 127.03 15.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 31.100000000000001 111.123 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -145.1 148.52 33.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 70.140000000000001 110.895 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -95.33 66.35 2.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 72.510000000000005 110.92 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.9 -138.59 2.44 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.69 -0.767 . . . . 63.229999999999997 112.485 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -62.56 -76.1 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.808 0.337 . . . . 70.340000000000003 110.911 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.743 ' HA ' HG11 ' A' ' 41' ' ' VAL . 1.1 m-20 -165.74 125.67 1.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 74.510000000000005 110.923 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.5 p -77.1 159.88 29.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 73.140000000000001 110.864 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -132.29 116.28 16.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 74.150000000000006 110.899 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -162.36 87.51 1.44 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.663 0.744 . . . . 75.25 110.884 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 122.37 9.05 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 2.258 . . . . 71.200000000000003 112.341 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -142.4 133.26 25.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 75.540000000000006 110.87 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -74.91 135.31 41.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 73.109999999999999 110.875 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.473 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 3.8 m -76.13 157.05 83.65 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.616 0.722 . . . . 74.219999999999999 110.89 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.473 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.6 Cg_endo -69.81 -171.47 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.713 2.275 . . . . 74.099999999999994 112.338 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.28 48.93 1.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 54.329999999999998 111.116 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.6 ptm -153.27 -33.69 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 74.129999999999995 110.857 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.606 HG11 ' HB3' ' A' ' 45' ' ' CYS . 14.1 t -89.43 142.95 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 54.219999999999999 111.118 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -144.72 30.11 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 64.140000000000001 111.123 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -159.04 150.09 20.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 74.25 110.902 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.6 m -104.39 126.39 51.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 74.140000000000001 110.867 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.0 ttp -102.69 139.11 38.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 62.310000000000002 110.908 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.516 ' O ' HG23 ' A' ' 64' ' ' THR . 76.0 m -137.04 135.48 37.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 74.400000000000006 111.13 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.6 m -136.28 98.06 3.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 74.040000000000006 111.164 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -97.56 102.01 13.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 64.219999999999999 110.92 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.3 m -89.09 156.93 18.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 72.239999999999995 111.151 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -133.43 102.64 5.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 73.010000000000005 110.929 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -84.88 -66.94 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 65.430000000000007 110.912 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.529 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -116.62 160.58 35.83 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.524 0.678 . . . . 43.340000000000003 111.184 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.529 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.8 Cg_endo -69.84 -5.2 15.69 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.267 . . . . 74.230000000000004 112.356 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.2 p -123.02 -3.9 8.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 61.229999999999997 111.101 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 44.7 mtt85 -145.29 130.74 18.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 70.519999999999996 110.867 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.74 174.4 10.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 73.230000000000004 110.862 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -141.88 155.32 45.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 72.030000000000001 110.875 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.743 HG11 ' HA ' ' A' ' 13' ' ' ASN . 8.5 p -140.87 147.74 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 74.120000000000005 111.115 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.29 126.41 16.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 53.340000000000003 110.788 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.467 ' HE3' HG21 ' A' ' 41' ' ' VAL . 28.0 mttt -134.89 146.84 49.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 71.209999999999994 110.901 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.491 ' HA ' HG22 ' A' ' 6' ' ' VAL . 4.6 p -164.94 172.54 12.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 71.400000000000006 110.835 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.606 ' HB3' HG11 ' A' ' 24' ' ' VAL . 1.7 m -96.75 122.17 39.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 74.329999999999998 110.905 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.517 ' O ' HG13 ' A' ' 24' ' ' VAL . 19.0 m -135.92 152.1 75.11 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.618 0.723 . . . . 72.409999999999997 111.161 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -44.58 2.01 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.679 2.253 . . . . 55.210000000000001 112.38 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -134.66 115.79 14.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 71.140000000000001 110.893 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 13.5 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 53.439999999999998 110.893 -179.929 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 82.3 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.97 0.415 . . . . 63.43 110.849 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 m -109.44 109.49 20.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.097 -0.501 . . . . 72.400000000000006 111.136 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 29' ' ' THR . 28.7 m -99.86 137.5 38.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 75.319999999999993 111.167 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.75 152.76 48.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 63.509999999999998 110.826 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.5 m -136.85 141.34 42.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 75.230000000000004 110.895 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.2 p -153.46 172.81 16.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 73.010000000000005 110.912 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -129.12 13.42 6.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 74.150000000000006 110.9 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.424 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 15.7 t80 -96.0 145.36 25.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 72.409999999999997 110.935 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -54.42 129.79 37.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 73.5 110.875 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.6 mt 47.77 35.69 4.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 72.019999999999996 110.968 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.424 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 28.0 p -66.37 -32.71 74.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 53.340000000000003 110.915 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 44.4 p-10 -83.6 -17.3 42.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 74.329999999999998 110.909 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.698 -0.763 . . . . 63.130000000000003 112.51 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 13.3 tp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.836 0.351 . . . . 73.120000000000005 110.891 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.2 129.99 55.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 73.209999999999994 110.855 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.1 m -136.54 166.86 22.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 72.409999999999997 110.904 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -84.05 114.6 21.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 72.140000000000001 110.86 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.409 HG22 ' HA ' ' A' ' 44' ' ' SER . 86.8 t -112.93 104.56 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 64.510000000000005 111.114 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.8 p -177.73 -175.41 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 70.209999999999994 110.878 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -154.38 136.07 14.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 74.120000000000005 111.064 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -145.67 155.01 42.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 52.210000000000001 110.902 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.417 ' HA ' ' HA ' ' A' ' 40' ' ' LYS . 78.2 m-20 -95.2 64.13 2.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 75.310000000000002 110.875 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.82 -133.75 1.55 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 70.230000000000004 112.494 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -70.42 -72.85 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 64.25 110.802 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.782 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -165.04 127.87 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 72.109999999999999 110.903 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.2 p -76.06 166.37 23.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 65.25 110.928 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -130.98 113.9 14.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 73.209999999999994 110.872 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -159.32 83.58 2.37 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.586 0.708 . . . . 43.399999999999999 110.897 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 120.03 6.88 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.683 2.255 . . . . 71.439999999999998 112.36 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.2 tpt -139.62 133.34 30.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 73.099999999999994 110.908 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -69.06 131.05 44.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 75.430000000000007 110.88 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.48 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 5.2 m -76.46 156.76 83.17 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.657 0.742 . . . . 64.239999999999995 110.891 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.48 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.3 Cg_endo -69.77 179.07 3.96 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.695 2.263 . . . . 75.120000000000005 112.32 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.07 55.42 1.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 70.099999999999994 111.081 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.1 ptm -157.67 -34.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 74.450000000000003 110.872 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.634 HG11 ' HB3' ' A' ' 45' ' ' CYS . 16.8 t -90.79 144.05 9.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 74.430000000000007 111.158 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -140.9 11.41 2.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 72.310000000000002 111.079 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -144.09 154.91 43.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 64.010000000000005 110.935 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.6 m -104.04 140.58 37.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 73.239999999999995 110.861 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.7 ttt -121.9 140.66 52.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 41.310000000000002 110.897 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 94.1 m -146.28 115.56 7.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 75.430000000000007 111.13 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.1 m -113.72 102.14 9.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 72.299999999999997 111.142 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -98.23 109.99 22.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 75.420000000000002 110.878 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.9 158.04 16.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 75.230000000000004 111.131 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -139.64 101.51 4.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.253 -0.43 . . . . 73.200000000000003 110.91 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -84.58 -57.8 2.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.079 -0.51 . . . . 73.409999999999997 110.906 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.529 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -123.6 160.4 51.12 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.599 0.714 . . . . 73.150000000000006 111.124 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.529 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.6 Cg_endo -69.76 -3.73 12.6 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.654 2.236 . . . . 73.109999999999999 112.358 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 p -125.79 -1.53 7.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 64.319999999999993 111.132 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -145.88 129.55 17.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 70.140000000000001 110.891 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -146.05 176.56 9.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 73.510000000000005 110.909 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -150.74 144.74 25.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 73.319999999999993 110.919 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.782 HG11 ' HA ' ' A' ' 13' ' ' ASN . 9.0 p -128.64 146.73 33.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.254 -0.43 . . . . 63.109999999999999 111.148 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.02 132.59 34.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 71.040000000000006 110.881 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -134.79 144.04 47.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 73.129999999999995 110.908 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.409 ' HA ' HG22 ' A' ' 6' ' ' VAL . 63.6 p -162.3 178.57 8.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 71.420000000000002 110.827 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.634 ' HB3' HG11 ' A' ' 24' ' ' VAL . 3.3 m -103.25 128.7 50.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 71.150000000000006 110.876 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.505 ' O ' HG13 ' A' ' 24' ' ' VAL . 33.1 m -143.13 152.29 57.72 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.592 0.71 . . . . 71.409999999999997 111.135 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -45.63 1.49 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.673 2.249 . . . . 72.109999999999999 112.328 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 44.3 mtm180 -134.03 130.18 37.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 75.120000000000005 110.886 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.6 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 71.200000000000003 110.877 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.4 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.907 0.384 . . . . 74.010000000000005 110.87 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 18.7 p -119.52 116.17 25.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 70.400000000000006 111.14 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.1 m -96.56 109.26 21.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 73.209999999999994 111.114 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.0 t -93.64 147.05 23.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 75.510000000000005 110.83 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.2 m -137.1 137.37 39.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 70.200000000000003 110.894 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.04 179.98 7.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 54.219999999999999 110.871 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -134.49 9.7 3.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 65.140000000000001 110.915 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -96.42 147.81 23.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.426 . . . . 74.420000000000002 110.893 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -59.21 133.34 56.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.089 -0.505 . . . . 71.310000000000002 110.875 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.9 mt 48.92 32.71 3.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 72.340000000000003 110.888 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.3 p -66.52 -27.42 67.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 70.349999999999994 110.881 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 44.1 p-10 -94.12 26.54 3.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 52.009999999999998 110.903 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 72.430000000000007 112.52 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.5 tp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.734 0.302 . . . . 74.530000000000001 110.951 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.94 131.75 56.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 73.329999999999998 110.894 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.4 m -140.23 167.12 22.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 62.420000000000002 110.907 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -84.11 112.36 20.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 71.030000000000001 110.825 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 63.9 t -109.07 103.74 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 75.530000000000001 111.162 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.9 p -175.71 168.47 3.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 75.040000000000006 110.892 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -142.17 129.07 20.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 60.240000000000002 111.122 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -144.3 146.86 32.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 71.340000000000003 110.932 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.411 ' HA ' ' HA ' ' A' ' 40' ' ' LYS . 6.7 m-80 -90.11 64.51 6.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 71.409999999999997 110.86 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.13 -140.67 2.93 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.748 . . . . 64.510000000000005 112.49 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -62.22 -77.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.342 . . . . 72.230000000000004 110.875 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.797 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.6 OUTLIER -167.07 121.19 1.02 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 61.43 110.904 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.5 p -76.54 158.16 31.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 74.140000000000001 110.89 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -123.56 119.48 30.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 72.310000000000002 110.861 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -160.55 83.83 2.03 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.581 0.705 . . . . 61.119999999999997 110.835 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 117.75 5.27 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.708 2.272 . . . . 73.209999999999994 112.321 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -137.84 133.42 33.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 70.5 110.887 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -70.58 131.98 44.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 74.5 110.889 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.504 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 5.0 m -75.19 157.71 84.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.619 0.724 . . . . 52.119999999999997 110.88 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.504 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.4 Cg_endo -69.73 179.04 3.96 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.713 2.275 . . . . 65.099999999999994 112.35 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.39 52.68 1.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 74.319999999999993 111.118 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.7 ptt? -156.96 -37.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 73.409999999999997 110.892 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.641 HG11 ' HB3' ' A' ' 45' ' ' CYS . 22.0 t -83.52 143.42 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 54.200000000000003 111.143 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.26 32.32 1.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 61.109999999999999 111.095 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -161.17 148.18 14.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 75.219999999999999 110.932 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.4 m -104.61 130.39 52.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 63.340000000000003 110.91 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 17.4 ttp -108.43 142.59 38.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 75.549999999999997 110.83 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 98.6 m -142.74 105.72 4.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 62.340000000000003 111.126 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 52.3 m -103.65 97.54 7.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 54.43 111.132 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -97.11 98.98 10.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 62.240000000000002 110.878 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.9 m -86.54 157.15 19.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 53.210000000000001 111.153 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -134.85 104.85 6.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.259 -0.428 . . . . 73.219999999999999 110.945 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -83.86 -62.5 1.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 75.409999999999997 110.908 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.563 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -124.33 161.25 48.77 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.614 0.721 . . . . 71.200000000000003 111.114 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.563 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.3 Cg_endo -69.81 -2.49 10.3 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.685 2.257 . . . . 72.140000000000001 112.338 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.5 p -122.1 -5.21 8.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 74.409999999999997 111.137 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -147.49 136.79 22.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 74.450000000000003 110.882 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.41 175.05 10.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 74.129999999999995 110.879 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 10' ' ' ASN . 0.4 OUTLIER -145.44 153.58 41.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 71.140000000000001 110.908 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.797 HG11 ' HA ' ' A' ' 13' ' ' ASN . 7.3 p -137.81 148.36 25.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 71.439999999999998 111.119 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.98 115.18 8.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 44.119999999999997 110.893 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.551 ' HE3' HG21 ' A' ' 41' ' ' VAL . 40.5 mttt -120.62 145.31 47.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 75.239999999999995 110.893 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 52.2 p -165.11 167.58 18.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 53.229999999999997 110.859 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.641 ' HB3' HG11 ' A' ' 24' ' ' VAL . 3.3 m -92.2 121.05 33.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 60.240000000000002 110.9 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.512 ' O ' HG13 ' A' ' 24' ' ' VAL . 33.3 m -134.39 152.32 77.8 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.647 0.736 . . . . 74.450000000000003 111.128 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -42.27 3.51 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.697 2.265 . . . . 51.439999999999998 112.317 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? -134.02 127.89 33.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 72.430000000000007 110.87 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 35.4 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 62.409999999999997 110.893 -179.93 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.8 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.001 0.429 . . . . 43.240000000000002 110.857 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.21 126.27 52.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 73.340000000000003 111.124 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.5 m -98.11 107.3 19.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 55.450000000000003 111.143 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.7 m -94.54 131.83 39.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 74.430000000000007 110.85 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.0 m -124.51 139.56 53.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 53.32 110.899 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.4 p -155.0 170.62 21.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 72.310000000000002 110.848 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.8 tm0? -127.49 14.19 7.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 74.409999999999997 110.906 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.443 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 17.7 t80 -96.71 146.15 25.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 74.420000000000002 110.898 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -56.48 130.47 45.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.055 -0.52 . . . . 73.25 110.88 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.9 mt 49.21 33.65 5.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 60.119999999999997 110.903 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.443 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 29.1 p -66.23 -27.97 68.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 73.519999999999996 110.859 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 46.6 p-10 -93.8 26.5 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 70.120000000000005 110.9 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.749 . . . . 40.030000000000001 112.496 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.4 HD22 ' HG2' ' A' ' 68' ' ' GLN . 58.3 tp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.833 0.349 . . . . 72.150000000000006 110.881 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.433 ' HA ' ' HA ' ' A' ' 19' ' ' ARG . 1.6 m-20 -116.7 139.69 50.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 72.239999999999995 110.854 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m -155.92 176.55 12.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 74.219999999999999 110.891 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.402 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 82.6 m-70 -87.87 112.44 22.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 75.209999999999994 110.873 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.497 HG13 ' HA ' ' A' ' 44' ' ' SER . 72.8 t -111.04 109.59 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 73.540000000000006 111.135 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.5 p -176.85 177.48 1.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 61.329999999999998 110.924 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -150.22 134.11 16.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 75.209999999999994 111.142 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -153.32 146.85 24.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 72.129999999999995 110.854 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -95.28 67.42 2.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 73.329999999999998 110.926 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.67 -136.07 1.93 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.758 -0.734 . . . . 61.229999999999997 112.494 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.6 -77.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 55.020000000000003 110.838 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.757 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.9 OUTLIER -166.45 123.17 1.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 55.409999999999997 110.876 -179.882 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.0 p -77.06 154.66 33.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 74.310000000000002 110.897 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -127.99 122.37 32.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 74.140000000000001 110.866 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.402 ' O ' ' HA ' ' A' ' 5' ' ' HIS . 63.2 t-20 -161.94 87.93 1.5 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.646 0.736 . . . . 64.329999999999998 110.876 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 106.96 1.76 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.669 2.246 . . . . 63.030000000000001 112.363 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.6 tpp -139.27 134.88 33.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 65.420000000000002 110.883 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.433 ' HA ' ' HA ' ' A' ' 3' ' ' ASP . 12.3 ttm-85 -77.49 151.81 34.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 74.140000000000001 110.906 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.525 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 3.2 m -81.97 159.4 65.77 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.637 0.732 . . . . 62.310000000000002 110.896 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.525 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.2 Cg_endo -69.75 -177.79 2.04 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 54.439999999999998 112.327 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.78 52.55 1.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 33.310000000000002 111.119 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -157.98 -39.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 52.299999999999997 110.897 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.706 HG11 ' HB3' ' A' ' 45' ' ' CYS . 53.4 t -85.88 148.36 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 75.430000000000007 111.164 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -147.42 32.76 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 70.510000000000005 111.071 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -156.61 153.47 28.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 73.299999999999997 110.963 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.8 m -110.1 133.12 53.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.503 . . . . 44.140000000000001 110.892 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.3 ttt -113.33 137.05 52.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 74.409999999999997 110.875 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.447 ' O ' HG23 ' A' ' 64' ' ' THR . 96.7 m -135.43 125.42 25.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 71.140000000000001 111.109 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.0 m -126.59 97.54 5.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 64.310000000000002 111.165 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -95.22 100.6 12.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 64.030000000000001 110.876 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.2 m -94.16 138.88 31.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 34.100000000000001 111.155 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -142.95 127.97 18.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 74.5 110.946 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -105.26 -45.33 4.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 42.43 110.952 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.591 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -136.26 162.75 54.63 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.627 0.727 . . . . 70.340000000000003 111.111 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.591 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 54.1 Cg_endo -69.72 -2.33 9.95 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.653 2.235 . . . . 73.0 112.368 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.7 p -122.35 -2.65 9.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 74.200000000000003 111.193 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -147.3 120.15 8.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 63.140000000000001 110.905 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.6 ptp -144.9 176.5 9.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 53.109999999999999 110.852 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -153.21 154.05 33.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 74.349999999999994 110.93 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.757 HG11 ' HA ' ' A' ' 13' ' ' ASN . 14.2 p -139.05 149.51 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 74.030000000000001 111.128 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.31 127.04 15.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 75.409999999999997 110.855 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.406 ' HE3' HG21 ' A' ' 41' ' ' VAL . 27.3 mttt -135.43 140.1 44.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 64.209999999999994 110.892 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.497 ' HA ' HG13 ' A' ' 6' ' ' VAL . 11.1 p -165.9 174.16 9.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 73.209999999999994 110.868 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.706 ' HB3' HG11 ' A' ' 24' ' ' VAL . 4.0 m -98.13 125.61 43.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 50.229999999999997 110.845 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.518 ' O ' HG13 ' A' ' 24' ' ' VAL . 28.3 m -132.3 153.0 81.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.596 0.712 . . . . 74.120000000000005 111.103 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -42.74 3.18 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.654 2.236 . . . . 63.530000000000001 112.353 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -134.48 107.27 7.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 74.019999999999996 110.915 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 52.6 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 73.019999999999996 110.886 -179.926 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.9 m . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.92 0.39 . . . . 64.299999999999997 110.877 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.1 m -116.65 113.43 22.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 55.130000000000003 111.133 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 29' ' ' THR . 22.5 m -106.4 141.12 38.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 71.340000000000003 111.174 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.2 t -132.24 155.2 48.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 74.420000000000002 110.849 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.5 m -133.96 142.28 47.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.5 . . . . 74.340000000000003 110.882 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.9 p -151.03 177.48 10.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 35.399999999999999 110.866 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.4 ' HG2' HD22 ' A' ' 2' ' ' LEU . 6.1 tt0 -139.14 12.95 2.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 70.239999999999995 110.904 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.414 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 30.3 t80 -95.99 148.9 22.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 74.439999999999998 110.894 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -53.98 129.07 32.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 74.409999999999997 110.861 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.1 mt 47.66 35.67 4.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 65.140000000000001 110.948 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.414 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 27.3 p -65.37 -29.56 70.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 74.25 110.861 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.5 p-10 -94.29 25.38 3.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 71.420000000000002 110.887 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.783 -0.722 . . . . 61.539999999999999 112.482 179.978 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 35.4 tp . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.798 0.333 . . . . 73.219999999999999 110.945 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -120.65 128.31 52.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 74.420000000000002 110.866 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.3 m -138.18 163.65 31.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 72.25 110.862 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -83.57 107.44 16.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 71.230000000000004 110.874 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.705 HG13 ' HA ' ' A' ' 44' ' ' SER . 15.5 t -104.84 108.87 25.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 72.010000000000005 111.119 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.4 p -175.52 160.69 2.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 53.119999999999997 110.868 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -134.92 130.71 36.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 73.409999999999997 111.098 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -144.48 151.27 38.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 73.420000000000002 110.877 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 -95.11 63.72 2.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 72.420000000000002 110.893 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.84 -137.99 2.31 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.764 -0.732 . . . . 74.329999999999998 112.509 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -64.7 -77.54 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.816 0.341 . . . . 61.229999999999997 110.844 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.75 ' HA ' HG11 ' A' ' 41' ' ' VAL . 1.3 p30 -167.61 122.33 1.01 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 70.510000000000005 110.858 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.5 p -76.24 177.92 6.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 52.229999999999997 110.866 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -143.82 120.99 11.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 41.340000000000003 110.863 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -163.52 87.47 1.24 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.656 0.741 . . . . 44.450000000000003 110.896 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 122.13 8.83 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.713 2.276 . . . . 73.540000000000006 112.353 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 49.0 mmm -141.14 137.78 32.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 74.129999999999995 110.866 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -75.46 133.96 40.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 62.43 110.941 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.498 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 3.9 m -76.07 157.74 82.95 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.616 0.722 . . . . 72.230000000000004 110.905 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.498 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.5 Cg_endo -69.74 175.21 8.39 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.727 2.285 . . . . 64.019999999999996 112.316 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.14 52.46 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 72.129999999999995 111.103 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.8 ptp -156.88 -39.48 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 74.319999999999993 110.865 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.688 HG11 ' HB3' ' A' ' 45' ' ' CYS . 39.3 t -82.01 146.04 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 55.420000000000002 111.14 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -147.63 31.36 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 70.030000000000001 111.053 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -158.83 147.26 18.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 73.519999999999996 110.913 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.6 m -104.82 128.11 52.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 63.009999999999998 110.904 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.9 ttm -113.68 143.91 43.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 71.209999999999994 110.864 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.691 HG23 ' HG3' ' A' ' 43' ' ' LYS . 54.4 m -145.94 118.42 8.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 53.149999999999999 111.158 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -107.16 100.1 9.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 62.130000000000003 111.143 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -97.43 97.53 9.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 71.340000000000003 110.875 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.0 m -91.54 115.49 28.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 71.299999999999997 111.13 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -105.65 120.5 41.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 63.119999999999997 110.895 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -105.59 -69.1 0.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 73.109999999999999 110.939 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.562 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -117.22 161.2 34.22 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.574 0.702 . . . . 65.200000000000003 111.148 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.562 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 54.0 Cg_endo -69.73 -5.13 15.44 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.692 2.261 . . . . 72.019999999999996 112.37 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.7 p -121.85 -5.26 9.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 75.340000000000003 111.189 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -144.45 122.75 12.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 74.099999999999994 110.815 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -141.52 166.04 25.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 74.230000000000004 110.889 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -137.81 145.71 42.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 71.230000000000004 110.927 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.75 HG11 ' HA ' ' A' ' 13' ' ' ASN . 9.4 p -142.8 145.16 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 72.409999999999997 111.104 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.23 126.91 13.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 75.0 110.899 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.691 ' HG3' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -129.3 145.85 51.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 73.230000000000004 110.859 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.705 ' HA ' HG13 ' A' ' 6' ' ' VAL . 82.8 p -166.05 171.99 11.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 61.119999999999997 110.9 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.688 ' HB3' HG11 ' A' ' 24' ' ' VAL . 1.7 m -94.81 123.57 38.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 61.130000000000003 110.856 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.528 ' O ' HG13 ' A' ' 24' ' ' VAL . 35.4 m -133.01 152.58 80.01 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.616 0.722 . . . . 50.219999999999999 111.127 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -44.96 1.78 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.725 2.284 . . . . 74.140000000000001 112.324 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -134.32 107.46 7.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 73.239999999999995 110.865 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.7 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 64.400000000000006 110.92 -179.968 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.942 0.401 . . . . 74.120000000000005 110.876 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.0 131.17 53.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 71.340000000000003 111.138 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 29.4 m -100.51 131.58 46.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 73.519999999999996 111.132 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 m -113.73 129.97 56.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 62.219999999999999 110.871 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.7 m -122.62 134.86 54.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 65.340000000000003 110.865 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.6 p -155.91 173.25 17.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 43.409999999999997 110.911 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.5 tm0? -131.12 12.35 5.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 52.329999999999998 110.909 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.415 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 14.5 t80 -95.75 144.09 26.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 74.310000000000002 110.915 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -54.63 129.8 37.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.081 -0.508 . . . . 61.25 110.873 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 17.4 mt 48.58 35.38 6.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 35.009999999999998 110.945 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.415 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 26.5 p -65.78 -34.17 77.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 71.140000000000001 110.889 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 49.6 p-10 -83.5 -17.47 41.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 64.430000000000007 110.885 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 C-N-CA 120.749 -0.739 . . . . 51.310000000000002 112.504 179.957 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 57.3 tp . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.804 0.335 . . . . 61.439999999999998 110.944 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.429 ' HA ' ' HA ' ' A' ' 19' ' ' ARG . 1.6 m-20 -113.9 138.78 49.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 73.219999999999999 110.887 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m -155.97 171.58 19.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 74.129999999999995 110.906 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -84.39 111.35 19.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 73.420000000000002 110.824 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.468 HG22 ' HA ' ' A' ' 44' ' ' SER . 94.7 t -111.96 112.36 40.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 71.319999999999993 111.111 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 30.8 p -175.13 177.11 1.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 73.219999999999999 110.881 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.84 136.55 20.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 42.240000000000002 111.094 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -157.01 147.77 21.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 74.439999999999998 110.892 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -95.04 66.74 3.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 73.430000000000007 110.909 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.07 -133.93 1.56 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 62.210000000000001 112.483 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -67.4 -78.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 72.439999999999998 110.843 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.748 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -167.14 119.14 0.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 65.420000000000002 110.886 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 32.1 p -77.53 151.82 34.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 70.219999999999999 110.884 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -120.55 127.8 52.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 71.109999999999999 110.912 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -165.49 89.27 0.94 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.619 0.723 . . . . 62.229999999999997 110.935 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 107.92 1.97 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.699 2.266 . . . . 71.530000000000001 112.338 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.5 ttm -138.37 134.63 34.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 62.149999999999999 110.891 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.429 ' HA ' ' HA ' ' A' ' 3' ' ' ASP . 13.2 ttm-85 -76.9 151.15 35.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 75.510000000000005 110.903 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.511 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 16.1 m -83.93 158.1 62.35 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.676 0.75 . . . . 71.329999999999998 110.851 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.511 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.0 Cg_endo -69.75 174.05 10.07 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.266 . . . . 52.030000000000001 112.353 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.34 55.79 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 73.230000000000004 111.118 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.568 ' HG3' HG23 ' A' ' 24' ' ' VAL . 2.7 ptp -158.15 -38.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 71.329999999999998 110.883 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.587 HG11 ' HB3' ' A' ' 45' ' ' CYS . 21.3 t -92.13 149.93 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 71.030000000000001 111.151 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -148.11 39.83 0.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 75.310000000000002 111.079 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -160.59 143.82 13.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 72.019999999999996 110.91 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.7 m -105.86 133.86 49.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 65.349999999999994 110.834 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.3 ttt -124.03 144.27 49.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 73.25 110.887 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 60.6 m -143.96 118.29 9.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 43.219999999999999 111.132 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.15 101.67 10.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 51.32 111.121 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -96.17 99.77 11.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 53.009999999999998 110.864 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.9 m -94.14 141.24 28.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 73.409999999999997 111.126 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -143.45 123.02 13.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 71.219999999999999 110.938 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -105.07 -46.83 4.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 71.519999999999996 110.916 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.543 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -130.01 161.24 61.04 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.597 0.713 . . . . 55.240000000000002 111.178 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.543 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 54.2 Cg_endo -69.7 -5.12 15.41 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.666 2.244 . . . . 71.239999999999995 112.353 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.3 p -124.04 -2.85 8.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 70.510000000000005 111.145 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -141.47 114.94 8.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 62.539999999999999 110.836 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.23 175.22 10.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 65.420000000000002 110.863 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -152.41 155.9 38.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 73.519999999999996 110.921 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.748 HG11 ' HA ' ' A' ' 13' ' ' ASN . 14.9 p -140.84 150.54 20.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 33.530000000000001 111.156 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 p -144.44 122.39 12.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 54.520000000000003 110.891 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.449 ' HE2' HG21 ' A' ' 41' ' ' VAL . 24.9 mttm -129.53 133.35 47.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 75.530000000000001 110.918 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.468 ' HA ' HG22 ' A' ' 6' ' ' VAL . 53.3 p -166.6 175.06 8.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 70.120000000000005 110.845 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.587 ' HB3' HG11 ' A' ' 24' ' ' VAL . 95.4 m -91.89 136.28 33.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 70.040000000000006 110.901 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.454 ' C ' HG13 ' A' ' 24' ' ' VAL . 31.8 m -138.11 152.94 72.83 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.589 0.709 . . . . 61.210000000000001 111.143 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -46.11 1.34 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.709 2.273 . . . . 74.099999999999994 112.322 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 38.7 mtp180 -137.68 109.19 6.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 73.519999999999996 110.838 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 49.7 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 64.540000000000006 110.894 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.9 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.973 0.416 . . . . 64.030000000000001 110.841 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.49 117.29 24.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.496 . . . . 64.340000000000003 111.145 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.5 m -98.61 143.42 29.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 73.099999999999994 111.143 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 t -126.19 148.49 49.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 72.329999999999998 110.872 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.9 m -134.79 138.01 43.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 54.310000000000002 110.853 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.0 p -156.04 175.48 13.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 64.519999999999996 110.88 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -137.82 13.08 2.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 73.209999999999994 110.918 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.411 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 35.3 t80 -95.86 148.45 22.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 75.549999999999997 110.903 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -53.98 129.48 34.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 64.450000000000003 110.842 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 28.2 mt 47.5 35.91 4.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 62.439999999999998 110.884 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.411 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 27.0 p -65.32 -31.41 72.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 62.43 110.901 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -94.04 25.64 3.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 72.25 110.891 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 C-N-CA 120.748 -0.739 . . . . 74.450000000000003 112.452 179.98 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 39.7 tp . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.805 0.336 . . . . 73.040000000000006 110.929 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.27 139.11 53.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 73.439999999999998 110.816 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m -154.72 173.91 15.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 63.25 110.896 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -83.92 115.71 22.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 73.329999999999998 110.875 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.43 HG13 ' HA ' ' A' ' 44' ' ' SER . 96.5 t -113.46 102.31 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 71.409999999999997 111.142 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.5 p -175.81 -176.46 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 54.32 110.89 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -153.81 137.05 15.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.464 . . . . 75.409999999999997 111.129 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -150.1 136.65 19.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 74.010000000000005 110.935 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.447 ' HA ' ' HA ' ' A' ' 40' ' ' LYS . 0.7 OUTLIER -76.78 64.49 2.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 50.140000000000001 110.875 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.71 -138.09 2.33 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.774 -0.727 . . . . 21.140000000000001 112.522 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.69 -77.54 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.825 0.345 . . . . 72.129999999999995 110.856 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.819 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -165.58 122.73 1.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 71.219999999999999 110.868 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.3 p -76.71 157.77 31.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 63.310000000000002 110.88 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -121.9 117.75 27.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 64.310000000000002 110.923 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -161.73 84.87 1.68 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.618 0.723 . . . . 63.100000000000001 110.877 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 125.94 12.72 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.658 2.239 . . . . 51.340000000000003 112.373 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.8 tpp -145.22 138.57 26.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 71.430000000000007 110.904 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.0 tpp180 -75.28 129.93 38.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 64.430000000000007 110.88 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.5 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 5.9 m -75.5 157.34 84.55 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.601 0.715 . . . . 61.020000000000003 110.933 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.5 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.3 Cg_endo -69.68 177.26 5.7 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.686 2.257 . . . . 74.420000000000002 112.363 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.8 55.64 1.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 50.520000000000003 111.12 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 14.2 ptp -158.13 -39.09 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 74.549999999999997 110.841 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.636 HG11 ' HB3' ' A' ' 45' ' ' CYS . 20.8 t -78.05 141.07 16.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 74.340000000000003 111.12 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -139.16 11.31 2.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 72.349999999999994 111.127 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -147.69 147.62 30.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 73.230000000000004 110.883 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.9 m -103.86 125.4 50.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.505 . . . . 53.140000000000001 110.904 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.6 ttp -100.99 143.54 31.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 55.030000000000001 110.863 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 81.9 m -145.48 109.88 4.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 64.019999999999996 111.153 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.56 100.17 9.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 72.209999999999994 111.147 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -96.13 101.62 13.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 75.349999999999994 110.89 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.7 m -95.41 134.32 38.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 73.540000000000006 111.105 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.4 p90 -135.24 116.34 14.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 71.340000000000003 110.937 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -99.38 -46.33 5.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.505 . . . . 75.219999999999999 110.961 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.549 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -131.85 161.29 63.43 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.583 0.706 . . . . 71.409999999999997 111.155 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.549 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 54.0 Cg_endo -69.7 -5.42 16.14 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.722 2.282 . . . . 71.120000000000005 112.342 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.8 p -123.71 -2.34 8.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 72.25 111.128 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -142.48 113.97 7.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 71.530000000000001 110.867 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.7 ptp -137.12 175.87 9.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 62.140000000000001 110.898 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 10' ' ' ASN . 18.3 tptm -154.57 145.45 22.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 73.019999999999996 110.907 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.819 HG11 ' HA ' ' A' ' 13' ' ' ASN . 12.0 p -131.66 152.19 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 72.430000000000007 111.168 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.2 p -145.81 127.89 15.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 63.119999999999997 110.889 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.404 ' HE2' HG21 ' A' ' 41' ' ' VAL . 28.1 mttm -133.14 140.88 47.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 70.329999999999998 110.878 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.43 ' HA ' HG13 ' A' ' 6' ' ' VAL . 95.1 p -161.3 170.71 19.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 74.040000000000006 110.862 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.636 ' HB3' HG11 ' A' ' 24' ' ' VAL . 8.6 m -99.01 125.62 44.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 73.450000000000003 110.928 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.541 ' O ' HG13 ' A' ' 24' ' ' VAL . 28.6 m -139.09 152.68 70.42 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.609 0.719 . . . . 62.109999999999999 111.121 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 -40.19 5.51 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.694 2.262 . . . . 53.340000000000003 112.378 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.6 mmt85 -133.86 127.12 31.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 75.549999999999997 110.902 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 42.1 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 63.439999999999998 110.887 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.89 0.376 . . . . 62.140000000000001 110.893 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.75 114.13 21.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 74.120000000000005 111.109 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.6 m -94.67 113.42 25.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 72.099999999999994 111.161 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.65 153.35 18.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 72.219999999999999 110.833 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 13.7 m -138.94 143.72 38.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 74.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.7 p -156.45 179.98 8.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 73.420000000000002 110.875 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -139.95 12.4 2.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 74.120000000000005 110.901 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.419 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 25.8 t80 -96.03 148.09 23.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 74.310000000000002 110.909 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -54.4 128.83 33.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.103 -0.499 . . . . 63.549999999999997 110.902 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.6 mt 48.89 34.98 5.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 65.329999999999998 110.913 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.419 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 27.6 p -65.6 -27.08 68.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 54.409999999999997 110.874 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 51.6 p30 -94.6 26.27 3.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 72.109999999999999 110.856 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.747 . . . . 52.420000000000002 112.492 179.939 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 34.8 tp . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.782 0.325 . . . . 72.420000000000002 110.971 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.44 130.44 53.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 71.129999999999995 110.862 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.7 m -140.59 163.56 32.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 72.349999999999994 110.883 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -83.39 104.32 13.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 72.140000000000001 110.847 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.583 HG22 ' HA ' ' A' ' 44' ' ' SER . 84.4 t -101.77 110.93 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 53.310000000000002 111.125 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.1 p -177.43 162.84 1.92 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 44.340000000000003 110.884 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -134.89 129.23 34.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 53.200000000000003 111.102 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -145.54 147.39 32.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 73.219999999999999 110.899 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -95.32 65.29 2.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 74.430000000000007 110.874 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.19 -139.13 2.56 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.741 -0.742 . . . . 42.039999999999999 112.508 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -63.23 -75.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.856 0.36 . . . . 64.25 110.895 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.722 ' HA ' HG11 ' A' ' 41' ' ' VAL . 1.5 m-20 -165.43 126.37 1.92 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 75.209999999999994 110.863 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.8 p -77.07 173.47 11.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 60.130000000000003 110.849 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -144.46 116.05 8.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 72.430000000000007 110.919 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -162.75 87.68 1.36 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.64 0.733 . . . . 72.340000000000003 110.86 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 119.37 6.33 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.692 2.261 . . . . 73.510000000000005 112.334 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -138.88 133.77 32.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 73.099999999999994 110.87 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.4 tpp180 -75.19 133.33 41.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 72.310000000000002 110.908 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.494 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 3.4 m -76.76 157.92 81.32 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.647 0.736 . . . . 74.129999999999995 110.904 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.494 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.0 Cg_endo -69.77 -170.5 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 2.263 . . . . 61.439999999999998 112.317 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.48 36.92 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 54.149999999999999 111.107 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.2 ptp -140.79 -28.46 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 64.219999999999999 110.88 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.665 HG11 ' HB3' ' A' ' 45' ' ' CYS . 15.6 t -94.42 141.88 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 74.519999999999996 111.135 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.16 28.79 1.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 71.030000000000001 111.075 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -155.9 147.47 22.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 74.540000000000006 110.931 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.3 m -104.3 124.44 49.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 74.120000000000005 110.867 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.3 ttt -104.08 138.34 40.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 63.210000000000001 110.893 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 65.9 m -143.2 114.93 8.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 75.120000000000005 111.139 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.2 m -111.77 102.37 10.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 73.319999999999993 111.117 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -98.19 104.41 16.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 74.019999999999996 110.892 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.8 m -96.52 161.8 13.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 61.520000000000003 111.137 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -133.8 106.82 7.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 73.040000000000006 110.906 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -84.5 -70.38 0.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 71.200000000000003 110.926 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.528 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -111.97 161.05 27.56 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.632 0.73 . . . . 73.450000000000003 111.123 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.528 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.9 Cg_endo -69.76 -4.87 14.9 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.695 2.263 . . . . 71.030000000000001 112.325 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.9 p -123.58 -4.24 8.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 72.120000000000005 111.126 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.6 mtp-105 -145.03 132.85 21.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 64.5 110.902 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -134.2 170.08 16.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 65.140000000000001 110.88 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -137.55 147.72 45.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 63.340000000000003 110.873 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.722 HG11 ' HA ' ' A' ' 13' ' ' ASN . 13.5 p -136.99 150.47 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 61.229999999999997 111.158 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.5 p -143.69 129.67 19.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 71.209999999999994 110.88 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.4 mttm -135.61 145.85 47.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 63.310000000000002 110.884 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.583 ' HA ' HG22 ' A' ' 6' ' ' VAL . 75.3 p -166.5 175.68 7.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 70.420000000000002 110.835 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.665 ' HB3' HG11 ' A' ' 24' ' ' VAL . 1.6 m -100.21 120.9 40.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.493 . . . . 74.319999999999993 110.897 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.547 ' O ' HG13 ' A' ' 24' ' ' VAL . 34.4 m -131.87 152.01 79.54 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.619 0.723 . . . . 65.420000000000002 111.124 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -43.36 2.67 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.678 2.252 . . . . 72.439999999999998 112.347 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.2 mmt85 -133.9 125.05 27.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 53.299999999999997 110.875 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 41.1 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 43.210000000000001 110.842 -179.926 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.7 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.901 0.381 . . . . 74.099999999999994 110.877 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.6 t -144.76 145.71 31.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 74.019999999999996 111.173 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.8 m -122.77 134.98 54.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 73.099999999999994 111.153 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.9 m -116.1 146.26 42.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 75.329999999999998 110.862 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 5.2 m -133.84 140.61 46.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 72.099999999999994 110.874 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.1 p -152.72 178.39 9.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 64.239999999999995 110.899 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -134.2 11.59 3.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 63.450000000000003 110.934 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.421 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 18.0 t80 -95.36 146.38 24.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 72.120000000000005 110.931 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -54.28 130.42 38.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 62.32 110.836 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.8 mt 46.6 36.05 3.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 70.040000000000006 110.877 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.421 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 27.2 p -65.8 -33.49 75.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 54.140000000000001 110.9 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 45.0 p-10 -83.66 -21.26 32.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 71.519999999999996 110.929 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.737 -0.744 . . . . 64.230000000000004 112.534 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 27.1 tp . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.81 0.338 . . . . 74.109999999999999 110.92 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.0 140.11 51.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 73.120000000000005 110.82 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m -155.9 174.32 15.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 51.340000000000003 110.923 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -83.6 118.62 23.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 72.230000000000004 110.906 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.757 HG13 ' HA ' ' A' ' 44' ' ' SER . 18.3 t -117.59 105.86 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 74.510000000000005 111.137 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.7 p -178.4 176.51 1.04 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 71.230000000000004 110.892 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -144.07 130.12 19.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 64.329999999999998 111.124 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -144.63 152.93 41.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 71.430000000000007 110.946 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 54.2 m-20 -95.16 64.54 2.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 65.319999999999993 110.921 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.19 -136.53 2.01 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 72.200000000000003 112.497 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -67.13 -76.43 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.789 0.328 . . . . 74.340000000000003 110.899 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.732 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -166.51 121.8 1.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 64.120000000000005 110.905 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.2 p -76.22 141.98 41.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 62.219999999999999 110.882 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -106.55 117.1 33.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 70.420000000000002 110.824 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -160.79 81.64 2.13 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.631 0.729 . . . . 60.299999999999997 110.902 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 122.3 8.97 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.657 2.238 . . . . 33.229999999999997 112.308 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 33.7 mmm -139.93 141.33 36.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 73.209999999999994 110.91 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -75.99 129.57 37.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 73.439999999999998 110.908 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.489 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 8.3 m -74.02 157.32 87.14 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.627 0.727 . . . . 63.329999999999998 110.914 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.489 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.6 Cg_endo -69.83 174.2 9.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.704 2.269 . . . . 71.109999999999999 112.316 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.13 53.84 0.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 74.430000000000007 111.074 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.1 ptm -156.32 -39.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 64.129999999999995 110.882 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.643 HG11 ' HB3' ' A' ' 45' ' ' CYS . 41.2 t -78.08 146.25 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 72.310000000000002 111.158 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.29 22.81 1.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 62.0 111.089 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -157.58 149.19 21.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 73.129999999999995 110.91 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.8 m -104.79 127.28 52.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 70.109999999999999 110.846 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.8 ttt -107.22 141.15 38.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 74.420000000000002 110.84 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.412 HG23 ' HG2' ' A' ' 43' ' ' LYS . 36.0 m -145.87 115.57 7.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 62.32 111.163 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 36.6 m -108.97 106.21 16.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 72.140000000000001 111.101 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.08 106.42 18.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 70.299999999999997 110.887 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.652 HG23 ' HB2' ' A' ' 62' ' ' SER . 6.5 m -95.18 156.68 16.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 73.230000000000004 111.122 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -133.85 100.95 4.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 50.520000000000003 110.919 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -85.02 -69.5 0.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 65.129999999999995 110.942 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.536 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -114.67 160.58 32.74 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.597 0.713 . . . . 74.099999999999994 111.107 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.536 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.5 Cg_endo -69.78 -5.0 15.18 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.692 2.261 . . . . 72.329999999999998 112.335 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.4 p -123.14 -4.28 8.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 74.140000000000001 111.137 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.9 mmt85 -145.52 132.11 19.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 63.43 110.863 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.84 177.28 7.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 60.530000000000001 110.862 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -141.61 144.64 34.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 74.120000000000005 110.878 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.732 HG11 ' HA ' ' A' ' 13' ' ' ASN . 5.8 p -135.66 142.99 37.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 62.299999999999997 111.128 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.54 132.14 34.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 72.340000000000003 110.855 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.412 ' HG2' HG23 ' A' ' 29' ' ' THR . 22.3 mttt -135.01 139.01 44.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 61.100000000000001 110.879 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.757 ' HA ' HG13 ' A' ' 6' ' ' VAL . 4.8 p -162.25 168.32 22.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 60.130000000000003 110.839 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.643 ' HB3' HG11 ' A' ' 24' ' ' VAL . 1.7 m -99.24 123.07 43.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 74.420000000000002 110.817 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.54 ' O ' HG13 ' A' ' 24' ' ' VAL . 34.2 m -135.26 151.55 75.22 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.639 0.733 . . . . 74.209999999999994 111.122 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -41.48 4.28 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.67 2.247 . . . . 72.430000000000007 112.366 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.7 mtp85 -134.04 119.36 18.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 72.040000000000006 110.862 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.7 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 75.120000000000005 110.903 -179.964 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.652 ' HB2' HG23 ' A' ' 32' ' ' THR . 3.9 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.954 0.406 . . . . 64.400000000000006 110.88 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.5 t -145.45 167.93 21.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 74.129999999999995 111.129 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.3 m -129.96 145.33 51.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 65.310000000000002 111.137 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.5 t -126.62 139.61 53.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 34.119999999999997 110.888 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.9 m -126.25 137.64 53.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 75.409999999999997 110.884 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.7 p -152.92 174.37 14.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 73.420000000000002 110.878 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.6 tm0? -134.27 13.87 3.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 63.530000000000001 110.934 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.441 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 17.4 t80 -96.36 145.93 25.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 73.299999999999997 110.91 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -54.61 129.18 35.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 74.010000000000005 110.889 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.5 mt 48.3 35.53 5.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 75.049999999999997 110.898 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.441 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 27.8 p -65.86 -26.44 67.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 70.439999999999998 110.876 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 -94.54 25.79 3.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 55.130000000000003 110.844 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.79 -0.719 . . . . 50.229999999999997 112.514 179.942 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 17.4 tp . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.779 0.323 . . . . 64.200000000000003 110.88 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.67 133.23 56.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 63.32 110.888 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 21.8 m -139.98 168.48 19.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 74.510000000000005 110.83 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -84.33 112.81 20.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 74.430000000000007 110.836 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.437 HG22 ' HA ' ' A' ' 44' ' ' SER . 80.1 t -109.5 100.19 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 71.099999999999994 111.151 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.9 p -176.11 170.64 2.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 65.25 110.882 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -142.02 134.53 28.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 71.510000000000005 111.084 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -145.27 151.75 38.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 72.329999999999998 110.943 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -93.42 63.7 3.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 64.129999999999995 110.927 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.21 -138.02 2.32 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.749 -0.739 . . . . 55.299999999999997 112.488 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -65.98 -75.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 51.219999999999999 110.862 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.641 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.5 OUTLIER -165.88 127.05 1.86 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 64.420000000000002 110.849 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.6 p -79.94 162.42 24.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 64.140000000000001 110.855 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -125.64 115.01 19.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 75.540000000000006 110.886 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 37.7 t-20 -158.11 82.63 2.82 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.587 0.708 . . . . 72.310000000000002 110.875 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 122.25 8.92 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.699 2.266 . . . . 71.239999999999995 112.34 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -142.21 133.29 26.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 54.420000000000002 110.9 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -69.56 132.98 47.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 75.530000000000001 110.836 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.493 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 3.9 m -76.32 157.71 82.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.647 0.737 . . . . 73.099999999999994 110.865 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.493 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.1 Cg_endo -69.77 -179.68 3.08 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.733 2.289 . . . . 65.430000000000007 112.378 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.42 54.52 1.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 64.510000000000005 111.113 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.9 ptp -158.28 -39.45 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 71.5 110.882 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.706 HG11 ' HB3' ' A' ' 45' ' ' CYS . 37.4 t -84.14 144.58 9.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 53.32 111.123 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.79 27.34 1.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 74.319999999999993 111.075 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -156.4 152.63 27.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 72.420000000000002 110.873 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.1 m -104.7 141.61 36.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 73.430000000000007 110.89 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.3 ttm -120.2 143.37 48.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 64.040000000000006 110.878 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 88.0 m -145.17 111.38 5.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 72.129999999999995 111.129 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.0 m -111.64 101.77 10.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 72.030000000000001 111.14 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -97.32 103.6 15.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 75.340000000000003 110.863 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 98.5 m -87.39 136.3 32.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 70.409999999999997 111.15 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -106.25 111.99 24.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 62.340000000000003 110.92 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -98.13 -80.53 0.45 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 75.340000000000003 110.944 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.468 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.3 p -113.05 161.91 24.45 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.621 0.724 . . . . 75.530000000000001 111.132 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.468 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.7 Cg_endo -69.76 -3.54 12.21 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.713 2.276 . . . . 74.109999999999999 112.352 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.7 p -122.76 -7.42 8.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 52.039999999999999 111.153 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.3 mmm-85 -146.61 140.26 25.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 50.340000000000003 110.897 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.5 ptp -143.53 171.74 13.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 75.420000000000002 110.868 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.0 mtpp -134.92 140.43 45.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 74.109999999999999 110.871 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.641 HG11 ' HA ' ' A' ' 13' ' ' ASN . 9.3 p -132.98 147.08 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 65.310000000000002 111.163 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 p -143.0 129.31 19.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 63.450000000000003 110.85 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.578 ' HE2' HG22 ' A' ' 41' ' ' VAL . 8.9 mtmt -135.88 140.75 44.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 74.420000000000002 110.912 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.437 ' HA ' HG22 ' A' ' 6' ' ' VAL . 33.8 p -163.95 175.03 10.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 63.130000000000003 110.803 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.706 ' HB3' HG11 ' A' ' 24' ' ' VAL . 1.7 m -95.71 125.54 40.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.058 -0.519 . . . . 64.409999999999997 110.86 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.553 ' O ' HG13 ' A' ' 24' ' ' VAL . 32.6 m -135.4 152.22 76.19 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.623 0.725 . . . . 63.219999999999999 111.077 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -46.4 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.697 2.265 . . . . 73.010000000000005 112.348 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -134.77 120.61 19.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 71.530000000000001 110.845 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 23.0 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 55.25 110.888 -179.951 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 61.5 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.956 0.408 . . . . 61.130000000000003 110.869 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 29.9 m -112.15 117.49 32.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 63.240000000000002 111.164 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.2 m -94.83 107.12 19.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 71.230000000000004 111.169 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 60.3 m -97.39 135.33 39.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 71.400000000000006 110.856 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.3 m -127.76 137.07 52.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 61.509999999999998 110.91 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.1 p -150.62 177.25 10.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 74.25 110.886 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -132.65 12.25 4.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 52.020000000000003 110.898 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.453 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 19.1 t80 -96.51 146.4 24.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 75.310000000000002 110.904 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -58.02 131.28 49.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 72.219999999999999 110.896 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.9 mt 49.74 32.23 5.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 65.219999999999999 110.947 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.453 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 30.5 p -66.34 -26.03 67.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 71.439999999999998 110.863 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 46.2 p-10 -94.5 26.32 3.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 75.519999999999996 110.889 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.75 . . . . 61.109999999999999 112.478 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.416 HD22 ' HG3' ' A' ' 68' ' ' GLN . 54.3 tp . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.797 0.332 . . . . 73.340000000000003 110.926 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -110.07 130.73 55.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 62.539999999999999 110.884 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 14.3 m -140.12 163.0 33.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 73.219999999999999 110.895 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -83.23 113.91 21.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 72.349999999999994 110.833 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.457 HG22 ' HA ' ' A' ' 44' ' ' SER . 60.2 t -109.49 104.03 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 64.430000000000007 111.167 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.1 p -176.68 169.96 2.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 72.209999999999994 110.855 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -143.65 132.29 22.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 52.119999999999997 111.087 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -144.11 152.87 41.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 73.530000000000001 110.905 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -95.62 64.69 2.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.074 -0.512 . . . . 63.119999999999997 110.912 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.81 -130.35 1.11 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 53.0 112.52 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -74.89 -76.71 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.342 . . . . 74.409999999999997 110.864 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.623 ' HA ' HG11 ' A' ' 41' ' ' VAL . 21.8 m-80 -162.83 122.77 2.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 75.200000000000003 110.884 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.6 p -77.05 164.03 26.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 65.129999999999995 110.896 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -127.49 118.4 23.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 74.209999999999994 110.874 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.404 ' HA ' ' HD2' ' A' ' 17' ' ' PRO . 37.3 t-20 -162.61 88.25 1.37 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.577 0.703 . . . . 74.340000000000003 110.913 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 16' ' ' ASN . 53.9 Cg_endo -69.71 118.1 5.48 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.661 2.241 . . . . 74.319999999999993 112.364 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -131.58 126.97 36.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 64.420000000000002 110.922 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -72.61 123.84 24.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 75.329999999999998 110.846 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.48 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 5.4 m -71.56 157.24 90.26 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.632 0.73 . . . . 75.109999999999999 110.906 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.48 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.3 Cg_endo -69.81 -171.82 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.706 2.271 . . . . 65.319999999999993 112.336 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.57 35.38 0.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 71.099999999999994 111.088 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.429 ' HG3' HG23 ' A' ' 24' ' ' VAL . 6.5 ptp -136.05 -29.36 1.01 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 73.349999999999994 110.871 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.691 HG11 ' HB3' ' A' ' 45' ' ' CYS . 72.5 t -92.94 146.0 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 41.530000000000001 111.162 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -147.36 42.49 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 65.140000000000001 111.107 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.401 ' CE2' ' HB3' ' A' ' 66' ' ' CYS . 0.7 OUTLIER -170.84 154.41 4.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 74.120000000000005 110.916 -179.876 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.1 m -111.73 137.26 49.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 64.340000000000003 110.878 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.7 ttt -120.87 137.54 54.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 41.219999999999999 110.899 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.479 HG23 ' HG2' ' A' ' 43' ' ' LYS . 47.3 m -141.81 113.26 7.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.27 -0.423 . . . . 74.340000000000003 111.149 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.3 m -102.57 97.55 7.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 61.229999999999997 111.116 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -95.73 96.14 8.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 73.209999999999994 110.879 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 87.0 m -96.02 131.21 42.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 73.129999999999995 111.168 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -135.04 109.87 8.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 71.140000000000001 110.951 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -89.12 -51.33 5.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 72.129999999999995 110.94 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.571 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -135.32 162.98 54.15 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.557 0.694 . . . . 63.310000000000002 111.124 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.571 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.9 Cg_endo -69.74 -1.92 9.27 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.69 2.26 . . . . 74.099999999999994 112.351 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.5 p -122.23 -3.76 8.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.444 . . . . 54.340000000000003 111.149 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.8 mmt-85 -146.97 114.77 6.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 71.400000000000006 110.86 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.67 168.75 19.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 61.520000000000003 110.898 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.51 144.64 21.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.423 . . . . 75.209999999999994 110.9 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.623 HG11 ' HA ' ' A' ' 13' ' ' ASN . 14.9 p -134.61 151.33 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 63.409999999999997 111.127 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 p -145.8 133.6 21.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 65.319999999999993 110.85 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.479 ' HG2' HG23 ' A' ' 29' ' ' THR . 20.2 mttm -135.77 141.61 44.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.129 -0.487 . . . . 74.409999999999997 110.902 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.457 ' HA ' HG22 ' A' ' 6' ' ' VAL . 1.4 p -166.43 174.57 8.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 64.019999999999996 110.86 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.691 ' HB3' HG11 ' A' ' 24' ' ' VAL . 17.6 m -93.6 132.7 37.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 34.009999999999998 110.897 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.408 ' C ' HG13 ' A' ' 24' ' ' VAL . 33.1 m -146.3 153.49 48.38 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.645 0.736 . . . . 74.319999999999993 111.119 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -45.29 1.63 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.708 2.272 . . . . 63.229999999999997 112.344 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.5 mtp85 -135.04 109.28 8.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 72.109999999999999 110.829 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.3 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 55.200000000000003 110.879 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.978 0.418 . . . . 71.310000000000002 110.875 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -127.4 137.44 52.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 73.209999999999994 111.144 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.0 m -114.78 123.58 49.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 61.030000000000001 111.123 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.0 m -105.46 124.38 49.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 65.109999999999999 110.867 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.401 ' HB3' ' CE2' ' A' ' 26' ' ' TYR . 2.1 m -122.37 149.22 44.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 71.030000000000001 110.89 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -165.5 173.26 11.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 73.349999999999994 110.918 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.416 ' HG3' HD22 ' A' ' 2' ' ' LEU . 25.6 tt0 -126.82 13.84 7.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 73.439999999999998 110.918 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.468 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 16.6 t80 -95.9 145.94 24.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 62.32 110.918 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -55.77 130.52 43.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 54.43 110.879 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.5 mt 48.16 32.91 3.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 71.209999999999994 110.963 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.468 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 31.6 p -66.23 -29.27 69.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 74.150000000000006 110.896 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 47.3 p-10 -92.46 27.47 2.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 52.240000000000002 110.835 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.775 -0.726 . . . . 72.150000000000006 112.486 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 27.9 tp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.778 0.323 . . . . 73.219999999999999 110.91 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.02 130.39 55.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 72.510000000000005 110.865 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.7 m -141.66 164.62 29.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 73.549999999999997 110.83 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -84.4 109.49 17.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 70.430000000000007 110.887 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.8 t -106.78 107.59 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 74.200000000000003 111.085 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 24.6 p -176.49 173.93 1.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 53.240000000000002 110.894 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.12 128.29 13.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 73.510000000000005 111.102 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -144.33 147.72 33.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 75.409999999999997 110.898 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.422 ' HA ' ' HA ' ' A' ' 40' ' ' LYS . 1.5 m-80 -94.04 66.09 3.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.519 . . . . 73.439999999999998 110.906 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.61 -136.91 2.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.747 . . . . 64.109999999999999 112.492 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -64.73 -77.23 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.84 0.352 . . . . 74.239999999999995 110.84 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.734 ' HA ' HG11 ' A' ' 41' ' ' VAL . 45.6 m-80 -162.34 124.19 2.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 74.340000000000003 110.929 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.1 p -76.49 157.69 31.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 63.450000000000003 110.915 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -130.34 118.56 21.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 75.140000000000001 110.874 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -162.64 83.89 1.54 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.631 0.729 . . . . 73.519999999999996 110.896 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 113.28 3.33 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.62 2.214 . . . . 73.040000000000006 112.333 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.5 tpt -133.1 139.01 46.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 72.109999999999999 110.908 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.0 tpp180 -73.91 135.18 43.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 74.319999999999993 110.895 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.511 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 4.4 m -77.02 158.03 80.64 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.626 0.727 . . . . 74.219999999999999 110.907 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.511 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.0 Cg_endo -69.75 177.51 5.5 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.634 2.223 . . . . 65.340000000000003 112.38 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.0 51.72 1.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 73.340000000000003 111.084 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 17.0 ptm -157.3 -39.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 74.25 110.889 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.687 HG11 ' HB3' ' A' ' 45' ' ' CYS . 24.4 t -79.62 143.23 12.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 71.439999999999998 111.149 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.23 32.07 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 54.32 111.136 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -160.71 149.07 16.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 63.420000000000002 110.956 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.0 m -104.7 129.68 52.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 65.239999999999995 110.873 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.4 ttp -108.86 136.72 47.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 43.310000000000002 110.884 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 64' ' ' THR . 92.2 m -139.04 123.07 17.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 75.400000000000006 111.146 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.2 m -120.98 100.92 7.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 54.340000000000003 111.183 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 -98.51 99.73 10.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 71.409999999999997 110.897 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -92.03 152.83 19.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 71.209999999999994 111.129 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -133.81 107.64 8.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 63.109999999999999 110.918 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -84.98 -65.4 1.01 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 74.510000000000005 110.96 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.565 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -122.52 161.83 41.48 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.593 0.711 . . . . 73.430000000000007 111.153 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.565 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.7 Cg_endo -69.8 -3.24 11.65 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.666 2.244 . . . . 70.030000000000001 112.342 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.05 -7.13 9.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 55.219999999999999 111.155 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.7 mtt180 -146.79 135.21 21.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 74.239999999999995 110.893 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.7 172.74 12.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 72.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 10' ' ' ASN . 7.8 ttpp -144.6 153.05 41.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 64.109999999999999 110.906 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.734 HG11 ' HA ' ' A' ' 13' ' ' ASN . 13.0 p -143.05 152.11 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 60.149999999999999 111.098 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.3 p -147.99 127.82 13.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 64.519999999999996 110.882 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -134.19 146.0 49.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.478 . . . . 72.25 110.894 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.3 p -165.76 169.75 14.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 55.119999999999997 110.8 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.687 ' HB3' HG11 ' A' ' 24' ' ' VAL . 2.1 m -93.3 122.33 35.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 73.209999999999994 110.909 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.566 ' O ' HG13 ' A' ' 24' ' ' VAL . 33.2 m -131.94 152.3 80.01 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.604 0.716 . . . . 73.219999999999999 111.178 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -41.63 4.15 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.673 2.248 . . . . 51.340000000000003 112.319 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.1 mtp-105 -134.24 124.66 26.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 75.349999999999994 110.899 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 53.3 t . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 41.32 110.92 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 89.9 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.954 0.407 . . . . 52.140000000000001 110.845 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.63 118.18 15.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.498 . . . . 54.350000000000001 111.133 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 29' ' ' THR . 38.3 m -103.89 137.84 41.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 75.310000000000002 111.141 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.1 t -124.64 154.73 40.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 64.450000000000003 110.839 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 6.1 m -137.17 147.15 45.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 74.209999999999994 110.883 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.4 p -156.06 171.8 19.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 74.109999999999999 110.904 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -128.75 13.44 6.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 64.439999999999998 110.928 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.429 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 19.7 t80 -96.25 146.37 24.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 72.140000000000001 110.92 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -56.2 130.85 46.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 74.540000000000006 110.912 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 30.8 mt 48.35 34.11 4.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 63.310000000000002 110.912 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 28.7 p -65.51 -29.76 70.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 33.420000000000002 110.887 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 51.1 p-10 -93.48 25.46 3.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 65.129999999999995 110.911 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 72.340000000000003 112.48 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 30.6 tp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.821 0.343 . . . . 51.310000000000002 110.909 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -107.69 131.2 54.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 44.399999999999999 110.901 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.6 m -145.71 157.92 43.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 72.349999999999994 110.925 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -82.98 104.33 13.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 71.430000000000007 110.845 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 51.1 t -99.49 106.67 19.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 51.539999999999999 111.128 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.9 p -174.9 164.88 3.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 73.230000000000004 110.91 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -141.62 128.01 19.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 62.509999999999998 111.093 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -144.79 146.97 32.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 75.0 110.922 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -87.63 65.3 8.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 74.030000000000001 110.896 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.39 -143.91 3.85 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 75.409999999999997 112.479 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -60.96 -76.4 0.05 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.817 0.341 . . . . 72.019999999999996 110.848 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.756 ' HA ' HG11 ' A' ' 41' ' ' VAL . 2.4 p30 -167.69 118.6 0.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 74.230000000000004 110.848 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.7 p -76.68 150.68 36.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 74.420000000000002 110.9 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -114.36 120.72 41.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 73.430000000000007 110.87 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -163.03 86.01 1.37 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.59 0.71 . . . . 74.310000000000002 110.896 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 115.2 3.98 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.739 2.293 . . . . 64.420000000000002 112.358 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.2 ttm -126.43 141.17 51.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 51.229999999999997 110.903 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -75.89 127.94 34.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 71.340000000000003 110.881 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.472 ' HB3' ' HB ' ' A' ' 24' ' ' VAL . 20.2 m -78.16 155.92 79.44 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.616 0.722 . . . . 63.109999999999999 110.854 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.462 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.6 Cg_endo -69.81 -169.43 0.33 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.693 2.262 . . . . 62.310000000000002 112.312 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.68 27.41 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 62.399999999999999 111.104 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -130.13 -21.6 2.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 75.239999999999995 110.93 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.615 HG11 ' HB3' ' A' ' 45' ' ' CYS . 14.8 t -95.32 140.9 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 74.420000000000002 111.139 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -138.9 9.4 2.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 74.239999999999995 111.1 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -147.04 155.07 41.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.262 -0.426 . . . . 63.039999999999999 110.93 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.8 m -104.91 142.29 35.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 60.030000000000001 110.906 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 21.8 ttm -117.09 142.38 47.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 74.319999999999993 110.859 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 87.8 m -145.6 104.34 3.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 72.129999999999995 111.132 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.0 m -101.9 99.43 9.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 72.019999999999996 111.129 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -97.94 101.16 12.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 73.519999999999996 110.9 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.7 m -88.71 156.32 19.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 45.420000000000002 111.14 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -133.86 102.62 5.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 74.450000000000003 110.923 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -84.83 -66.4 0.9 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 64.310000000000002 110.93 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.534 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -117.9 161.05 36.29 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.579 0.704 . . . . 75.230000000000004 111.104 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.534 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.5 Cg_endo -69.74 -4.98 15.1 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.716 2.277 . . . . 73.019999999999996 112.342 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.4 p -122.94 -4.1 8.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 73.519999999999996 111.135 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -145.11 133.44 21.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 75.319999999999993 110.887 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 8.8 ptm -138.85 176.09 9.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 72.239999999999995 110.863 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -145.32 151.24 38.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 74.329999999999998 110.874 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.756 HG11 ' HA ' ' A' ' 13' ' ' ASN . 11.8 p -136.83 153.05 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 75.200000000000003 111.136 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.39 112.86 4.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 75.540000000000006 110.876 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.449 ' HE2' HG21 ' A' ' 41' ' ' VAL . 21.0 mttm -121.54 147.52 45.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 75.340000000000003 110.879 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 62.1 p -164.95 178.88 6.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 73.540000000000006 110.862 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.615 ' HB3' HG11 ' A' ' 24' ' ' VAL . 21.4 m -99.28 133.07 44.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 74.230000000000004 110.9 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.525 ' O ' HG13 ' A' ' 24' ' ' VAL . 34.9 m -148.49 152.14 37.78 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.64 0.733 . . . . 75.030000000000001 111.149 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -47.29 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.645 2.23 . . . . 75.239999999999995 112.373 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 31.8 mtm180 -134.44 119.49 18.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 74.120000000000005 110.881 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 15.8 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 75.430000000000007 110.877 -179.953 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.5 p . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.941 0.401 . . . . 70.200000000000003 110.866 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.2 m -131.39 104.48 7.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 75.510000000000005 111.136 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 80.6 m -94.15 109.75 21.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 71.409999999999997 111.163 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.9 t -95.96 146.07 24.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 62.329999999999998 110.84 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.2 m -135.37 141.29 45.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.509 . . . . 72.409999999999997 110.875 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -149.0 179.68 7.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 71.510000000000005 110.902 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -134.37 8.81 3.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 55.0 110.923 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -96.09 147.24 23.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 74.219999999999999 110.891 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -59.3 133.52 56.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 74.530000000000001 110.844 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 29.0 mt 49.14 32.58 4.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 73.010000000000005 110.868 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.7 p -65.59 -29.78 70.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 72.109999999999999 110.912 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.5 p-10 -93.96 25.56 3.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 74.010000000000005 110.866 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.725 -0.75 . . . . 51.049999999999997 112.467 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.2 ptt? . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.828 0.347 . . . . 74.319999999999993 110.902 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.4 tp -151.23 148.77 28.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 64.439999999999998 110.929 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.12 129.81 56.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 54.32 110.901 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 15.8 m -138.15 165.49 26.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 63.340000000000003 110.909 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -84.02 111.71 19.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 74.049999999999997 110.843 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.499 HG22 ' HA ' ' A' ' 44' ' ' SER . 69.8 t -108.61 105.57 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 70.430000000000007 111.119 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.6 p -175.29 178.51 1.67 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 63.43 110.898 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -151.95 133.88 14.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 63.109999999999999 111.087 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -146.95 153.29 39.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 73.340000000000003 110.938 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -95.06 63.38 2.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 73.230000000000004 110.864 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.95 -136.15 1.94 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 71.439999999999998 112.467 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -65.88 -76.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 75.310000000000002 110.866 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.733 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -166.78 124.3 1.31 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 74.239999999999995 110.937 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.0 p -75.83 167.67 21.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 74.319999999999993 110.87 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -132.26 118.36 19.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 65.140000000000001 110.907 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -160.85 83.14 2.0 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.605 0.717 . . . . 64.129999999999995 110.876 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 117.72 5.26 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.685 2.257 . . . . 64.329999999999998 112.345 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.9 tpp -139.04 134.35 32.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 64.420000000000002 110.917 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 -70.59 134.08 47.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 71.150000000000006 110.845 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.487 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 4.6 m -76.05 157.27 83.54 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.65 0.738 . . . . 72.319999999999993 110.85 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.487 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.0 Cg_endo -69.75 177.46 5.55 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.674 2.249 . . . . 70.540000000000006 112.336 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.47 54.37 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 44.030000000000001 111.138 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.5 ptm -157.88 -38.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 74.349999999999994 110.93 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.653 HG11 ' HB3' ' A' ' 45' ' ' CYS . 37.8 t -84.29 147.24 5.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 73.409999999999997 111.155 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -147.8 30.18 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 44.130000000000003 111.113 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -158.71 150.2 20.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 74.019999999999996 110.896 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.5 m -104.64 136.52 44.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.509 . . . . 70.549999999999997 110.878 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 12.0 ttt -117.25 142.05 47.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 61.210000000000001 110.904 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 94.8 m -145.7 110.99 5.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 60.310000000000002 111.133 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.3 m -106.26 102.66 12.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 74.530000000000001 111.181 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -97.3 103.79 15.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 61.509999999999998 110.891 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.586 HG23 ' OG ' ' A' ' 62' ' ' SER . 1.3 m -92.39 160.8 14.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 73.530000000000001 111.188 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -138.78 105.27 5.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 72.200000000000003 110.956 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -86.55 -65.14 1.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 72.420000000000002 110.961 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.563 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -124.19 161.98 44.35 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.58 0.705 . . . . 63.409999999999997 111.119 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.563 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.1 Cg_endo -69.8 -3.34 11.83 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.672 2.248 . . . . 44.25 112.319 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 66.5 p -119.61 -7.46 10.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 75.420000000000002 111.157 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 50.5 mtm180 -146.89 134.1 20.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 73.510000000000005 110.846 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -134.26 170.43 15.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 74.129999999999995 110.869 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -137.84 144.3 41.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 61.450000000000003 110.896 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.733 HG11 ' HA ' ' A' ' 13' ' ' ASN . 12.9 p -139.06 150.48 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 62.219999999999999 111.144 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.44 130.68 16.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 75.129999999999995 110.896 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.3 mttm -135.14 144.4 47.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 74.230000000000004 110.874 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.499 ' HA ' HG22 ' A' ' 6' ' ' VAL . 5.1 p -165.39 178.55 6.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 64.519999999999996 110.877 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.653 ' HB3' HG11 ' A' ' 24' ' ' VAL . 3.8 m -100.64 122.67 43.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 55.420000000000002 110.872 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.479 ' O ' HG13 ' A' ' 24' ' ' VAL . 33.3 m -136.12 152.91 76.27 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.616 0.722 . . . . 74.310000000000002 111.13 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -44.66 1.95 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.727 2.285 . . . . 71.329999999999998 112.305 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -133.96 126.21 29.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 74.510000000000005 110.838 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.9 t -125.48 128.54 48.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 73.049999999999997 110.859 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -104.93 152.96 22.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 64.549999999999997 110.919 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -85.35 124.13 31.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 75.219999999999999 110.857 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.3 p -87.97 105.43 17.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 71.400000000000006 111.143 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.2 m -105.86 136.42 40.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 73.140000000000001 111.117 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -145.95 118.61 8.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 74.230000000000004 110.861 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -165.41 76.28 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 73.519999999999996 110.836 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -175.39 -69.33 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.784 -0.722 . . . . 71.329999999999998 112.536 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -134.2 -36.35 0.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.941 0.401 . . . . 75.010000000000005 110.93 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.81 169.09 15.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 62.25 110.838 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.61 125.73 29.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 70.030000000000001 110.949 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 56.2 p-80 -106.67 28.28 8.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 72.409999999999997 110.827 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.37 15.64 8.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 63.399999999999999 111.092 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.586 ' OG ' HG23 ' A' ' 32' ' ' THR . 23.4 m -139.23 140.99 37.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.428 . . . . 64.200000000000003 110.909 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.1 p -143.97 114.27 7.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 51.020000000000003 111.116 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 28.7 m -94.73 126.31 39.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 72.150000000000006 111.13 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.1 m -109.21 149.11 29.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.452 . . . . 71.010000000000005 110.846 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 2.8 m -136.07 144.25 45.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 70.400000000000006 110.873 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.3 p -156.61 170.39 22.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 74.450000000000003 110.864 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.1 tm0? -127.35 12.83 7.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 74.450000000000003 110.888 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.415 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 16.6 t80 -96.08 145.01 25.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 71.239999999999995 110.914 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -56.19 130.35 43.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 70.340000000000003 110.861 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.8 mt 50.02 33.62 7.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 74.109999999999999 110.936 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.415 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 28.0 p -65.61 -29.63 70.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 72.299999999999997 110.861 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 50.5 p-10 -93.58 25.8 3.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 74.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 71.030000000000001 112.493 180.0 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 mtm . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.814 0.34 . . . . 75.540000000000006 110.877 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 25.5 tp -154.85 148.87 25.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 65.329999999999998 110.928 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.37 139.96 53.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 74.420000000000002 110.882 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m -155.19 172.46 18.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 72.310000000000002 110.819 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -84.01 112.12 19.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 65.420000000000002 110.846 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.479 HG13 ' HA ' ' A' ' 44' ' ' SER . 97.4 t -109.86 105.84 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 63.329999999999998 111.126 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.6 p -176.32 -177.75 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 45.399999999999999 110.921 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -153.95 132.14 11.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 75.219999999999999 111.075 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -145.13 150.89 37.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 65.109999999999999 110.937 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -91.19 64.21 5.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 72.319999999999993 110.884 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.74 -134.74 1.69 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.733 -0.746 . . . . 70.450000000000003 112.5 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -70.07 -75.5 0.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.799 0.333 . . . . 72.530000000000001 110.901 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.771 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -165.23 122.51 1.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 72.109999999999999 110.861 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.6 p -76.6 153.61 35.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 73.319999999999993 110.936 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -119.29 117.51 28.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 72.420000000000002 110.883 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -161.33 85.64 1.72 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.671 0.748 . . . . 70.150000000000006 110.9 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 124.97 11.6 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.615 2.21 . . . . 73.439999999999998 112.362 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -145.42 137.41 25.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 63.020000000000003 110.815 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -75.37 132.22 40.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 72.010000000000005 110.884 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.474 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 6.6 m -75.01 156.45 86.09 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.736 . . . . 64.230000000000004 110.874 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.474 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.7 Cg_endo -69.75 -175.28 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.621 2.214 . . . . 61.439999999999998 112.349 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.52 50.22 1.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 53.439999999999998 111.134 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.0 ptt? -152.25 -36.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 74.439999999999998 110.882 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.575 HG11 ' HB3' ' A' ' 45' ' ' CYS . 41.3 t -80.87 148.21 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 70.549999999999997 111.102 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -146.36 20.46 1.37 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 71.549999999999997 111.106 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -157.67 147.26 20.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 74.109999999999999 110.926 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 5.4 m -104.29 125.62 50.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 74.109999999999999 110.884 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 13.5 ttm -101.47 139.67 36.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 73.150000000000006 110.871 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 97.7 m -140.23 113.01 8.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 72.530000000000001 111.114 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.436 HG23 ' OG1' ' A' ' 64' ' ' THR . 1.0 OUTLIER -112.63 99.58 8.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 61.030000000000001 111.134 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -96.08 96.93 9.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 73.219999999999999 110.855 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.1 m -92.16 142.58 27.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 42.109999999999999 111.169 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -145.69 127.84 15.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 73.239999999999995 110.936 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -106.45 -41.21 5.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 64.040000000000006 110.925 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.564 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -133.23 161.63 62.61 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.518 0.675 . . . . 71.219999999999999 111.189 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.564 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.6 Cg_endo -69.75 -4.53 14.21 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.704 2.27 . . . . 63.439999999999998 112.302 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.0 p -124.91 -2.81 7.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 64.310000000000002 111.137 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -140.77 114.31 8.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 74.140000000000001 110.874 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.99 172.67 12.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 73.140000000000001 110.929 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -150.64 148.13 28.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 74.329999999999998 110.922 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.771 HG11 ' HA ' ' A' ' 13' ' ' ASN . 10.7 p -131.9 154.27 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 74.140000000000001 111.178 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.2 p -147.88 127.34 13.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 73.200000000000003 110.882 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.441 ' HE2' HG21 ' A' ' 41' ' ' VAL . 25.5 mttm -134.73 138.93 44.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 73.239999999999995 110.885 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.479 ' HA ' HG13 ' A' ' 6' ' ' VAL . 53.2 p -158.39 173.33 16.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 23.300000000000001 110.858 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.575 ' HB3' HG11 ' A' ' 24' ' ' VAL . 1.7 m -103.37 121.48 42.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 71.129999999999995 110.881 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.43 ' O ' HG13 ' A' ' 24' ' ' VAL . 32.8 m -140.6 151.8 64.46 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.666 0.746 . . . . 62.420000000000002 111.131 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -47.13 0.99 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.683 2.255 . . . . 74.439999999999998 112.319 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.5 mtp180 -106.22 141.54 37.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.422 . . . . 71.400000000000006 110.867 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 18.6 t -84.27 142.03 30.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 61.439999999999998 110.857 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -130.28 84.97 2.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 65.349999999999994 110.853 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -67.0 178.38 1.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 53.520000000000003 110.913 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 13.4 t -74.26 145.71 43.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 74.099999999999994 111.158 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.7 p -150.03 148.66 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 73.340000000000003 111.165 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -145.97 171.83 14.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 73.200000000000003 110.927 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -154.48 75.41 0.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 73.219999999999999 110.845 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -166.56 -83.14 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.74 . . . . 74.549999999999997 112.475 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -135.26 -77.54 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.899 0.381 . . . . 74.019999999999996 110.93 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.4 p -158.08 129.1 6.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 63.039999999999999 110.851 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -150.32 93.52 2.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 72.099999999999994 110.894 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -104.7 33.07 3.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 74.0 110.862 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.14 13.66 9.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 45.329999999999998 111.108 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -155.29 123.86 6.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 64.25 110.855 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -116.23 99.39 7.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 71.530000000000001 111.156 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.436 ' OG1' HG23 ' A' ' 30' ' ' THR . 4.1 m -98.21 121.47 40.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 73.420000000000002 111.152 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.6 m -135.78 143.98 45.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 52.109999999999999 110.892 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 27' ' ' CYS . 8.0 m -120.89 172.51 7.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 74.409999999999997 110.858 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -164.11 179.48 6.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 71.299999999999997 110.897 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -133.32 10.86 4.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 52.229999999999997 110.891 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.407 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 24.3 t80 -96.53 147.18 24.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 74.329999999999998 110.931 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -57.98 132.42 53.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.12 -0.491 . . . . 61.240000000000002 110.863 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.0 mt 48.81 32.97 3.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 75.019999999999996 110.918 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.407 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 29.4 p -66.29 -28.22 68.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 70.340000000000003 110.863 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 51.9 p-10 -93.74 26.67 3.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 52.520000000000003 110.901 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.779 -0.724 . . . . 72.420000000000002 112.479 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.6 tpp . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.8 0.334 . . . . 64.239999999999995 110.897 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 21.0 tp -155.06 149.28 26.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 64.409999999999997 110.929 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -119.86 130.67 54.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 72.430000000000007 110.92 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.4 m -139.44 167.43 22.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 74.310000000000002 110.842 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -84.05 112.5 20.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 73.310000000000002 110.87 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.477 HG22 ' HA ' ' A' ' 44' ' ' SER . 93.8 t -109.53 105.05 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 62.32 111.13 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.1 p -176.78 163.49 2.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 54.420000000000002 110.914 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -136.0 130.4 33.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 62.0 111.092 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -144.75 148.37 34.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 65.540000000000006 110.907 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.401 ' HA ' ' HA ' ' A' ' 40' ' ' LYS . 5.2 m-20 -95.44 63.66 2.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 73.25 110.889 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.52 -139.53 2.66 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 25.34 112.481 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -61.57 -77.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 73.109999999999999 110.867 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.811 ' HA ' HG11 ' A' ' 41' ' ' VAL . 5.4 m-80 -166.01 125.15 1.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 72.109999999999999 110.913 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.9 p -77.33 166.84 22.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 32.210000000000001 110.88 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -136.29 117.46 14.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 71.439999999999998 110.869 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -160.94 83.42 1.95 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.615 0.721 . . . . 73.349999999999994 110.886 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 113.47 3.38 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.682 2.254 . . . . 72.329999999999998 112.375 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 35.0 tpp -135.14 134.49 40.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 75.219999999999999 110.868 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 -71.46 134.86 46.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 75.450000000000003 110.886 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.531 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 4.6 m -76.86 158.45 80.46 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.639 0.733 . . . . 74.519999999999996 110.869 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.531 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.4 Cg_endo -69.74 177.46 5.54 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.684 2.256 . . . . 41.420000000000002 112.365 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.05 53.62 1.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 75.209999999999994 111.138 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.431 ' HG2' ' HG2' ' A' ' 21' ' ' PRO . 9.5 ptp -157.74 -35.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 73.230000000000004 110.938 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.722 HG11 ' HB3' ' A' ' 45' ' ' CYS . 39.3 t -87.92 142.52 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 50.409999999999997 111.091 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -144.23 33.61 1.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 75.239999999999995 111.12 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -160.28 147.33 15.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 73.230000000000004 110.883 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.5 m -104.09 136.1 44.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 71.549999999999997 110.869 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.7 ttt -114.8 143.74 44.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 72.239999999999995 110.836 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 99.3 m -145.34 108.44 4.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 71.140000000000001 111.101 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.6 m -105.09 99.06 8.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 64.5 111.136 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -98.14 104.43 16.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 72.329999999999998 110.921 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.589 HG23 ' OG ' ' A' ' 62' ' ' SER . 24.4 m -92.75 153.48 18.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 74.310000000000002 111.143 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -133.15 101.37 5.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 73.209999999999994 110.919 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -84.25 -68.84 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 75.340000000000003 110.953 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.533 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -115.12 160.68 33.0 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.55 0.691 . . . . 63.399999999999999 111.153 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.533 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.7 Cg_endo -69.82 -4.56 14.32 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.666 2.244 . . . . 73.010000000000005 112.392 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 69.2 p -124.07 -3.67 8.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 62.130000000000003 111.162 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.4 mtp85 -145.18 128.12 16.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 74.120000000000005 110.901 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 6.4 ptp -139.54 170.08 16.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 63.100000000000001 110.872 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 10' ' ' ASN . 21.2 ttpp -140.18 155.97 46.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 64.040000000000006 110.896 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.811 HG11 ' HA ' ' A' ' 13' ' ' ASN . 12.6 p -144.98 149.39 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 42.43 111.099 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 p -144.22 127.58 16.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 72.439999999999998 110.864 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -130.32 145.82 51.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 61.229999999999997 110.874 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.477 ' HA ' HG22 ' A' ' 6' ' ' VAL . 75.9 p -166.13 174.21 9.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 74.209999999999994 110.865 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.722 ' HB3' HG11 ' A' ' 24' ' ' VAL . 7.4 m -96.99 122.0 39.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 73.140000000000001 110.865 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.537 ' O ' HG13 ' A' ' 24' ' ' VAL . 33.8 m -131.89 152.85 81.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.654 0.74 . . . . 63.409999999999997 111.137 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -47.13 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.66 2.24 . . . . 71.109999999999999 112.349 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 46.7 mmt-85 -134.23 119.68 19.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 75.530000000000001 110.922 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 32.7 t -119.68 127.37 52.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 72.329999999999998 110.906 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -108.72 132.63 53.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 74.310000000000002 110.85 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -65.07 158.22 26.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 74.510000000000005 110.894 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 41.0 m -74.65 124.98 27.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 63.439999999999998 111.164 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 23.0 m -99.82 145.71 10.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 60.149999999999999 111.146 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -153.59 162.39 41.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 72.420000000000002 110.912 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -163.7 83.3 0.46 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.091 -0.504 . . . . 72.439999999999998 110.891 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -164.16 -80.87 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.788 -0.72 . . . . 73.209999999999994 112.55 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -138.52 -76.59 0.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.896 0.379 . . . . 63.450000000000003 110.881 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.7 m -157.65 109.84 2.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 72.349999999999994 110.812 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.44 91.17 7.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 75.040000000000006 110.919 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 44.3 p-80 -96.13 31.46 2.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 75.120000000000005 110.825 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.88 -75.57 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 65.150000000000006 111.136 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.589 ' OG ' HG23 ' A' ' 32' ' ' THR . 26.0 m -136.16 142.04 44.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 70.209999999999994 110.822 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.4 118.94 21.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 64.019999999999996 111.13 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.3 m -94.89 111.21 23.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 75.120000000000005 111.148 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.7 m -96.91 137.39 36.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 71.25 110.813 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.6 m -128.16 139.83 52.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 75.099999999999994 110.878 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.4 p -154.98 169.83 23.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 60.32 110.89 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -127.18 13.14 7.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 72.409999999999997 110.951 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.425 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 17.2 t80 -95.92 145.7 25.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 74.450000000000003 110.924 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -56.57 130.92 47.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 74.219999999999999 110.902 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 31.5 mt 49.06 33.53 4.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 75.530000000000001 110.866 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.425 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 28.8 p -65.38 -28.73 69.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 63.350000000000001 110.906 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 51.0 p-10 -93.79 25.66 3.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 73.109999999999999 110.857 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.692 -0.766 . . . . 72.310000000000002 112.495 179.975 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.9 mtt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.86 0.362 . . . . 63.240000000000002 110.896 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.6 tp -97.75 148.46 23.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 62.509999999999998 110.921 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.64 137.63 54.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 63.130000000000003 110.835 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 29.7 m -143.13 161.51 38.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 72.120000000000005 110.869 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -84.29 111.49 19.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 75.5 110.868 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.509 HG22 ' HA ' ' A' ' 44' ' ' SER . 21.7 t -108.21 110.17 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 72.319999999999993 111.126 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.7 p -178.64 -176.92 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 54.149999999999999 110.894 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -153.61 132.47 12.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 63.420000000000002 111.126 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -144.41 153.9 42.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 74.329999999999998 110.88 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.409 ' HA ' ' HA ' ' A' ' 40' ' ' LYS . 6.9 m-20 -95.5 75.73 3.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 72.409999999999997 110.908 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 178.43 -139.71 4.22 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 54.200000000000003 112.469 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -57.78 -76.67 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.851 0.358 . . . . 71.120000000000005 110.895 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.703 ' OD1' HG21 ' A' ' 41' ' ' VAL . 13.3 m-80 -166.96 132.94 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 74.420000000000002 110.914 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.9 p -76.46 171.2 15.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 74.109999999999999 110.9 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -138.32 114.11 9.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 73.239999999999995 110.931 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -161.62 80.62 2.0 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.582 0.706 . . . . 54.219999999999999 110.872 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.503 ' HB3' HD22 ' A' ' 71' ' ' LEU . 54.1 Cg_endo -69.69 115.6 4.16 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.69 2.26 . . . . 70.109999999999999 112.364 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 47.6 mmm -129.04 144.43 51.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 74.019999999999996 110.897 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -75.59 127.7 33.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 72.409999999999997 110.868 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.478 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 17.0 m -76.43 156.28 83.43 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.586 0.707 . . . . 72.310000000000002 110.902 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.478 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.6 Cg_endo -69.73 -173.42 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.649 2.232 . . . . 72.430000000000007 112.411 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.0 52.97 2.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 55.5 111.094 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.6 ptm -156.66 -36.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 64.439999999999998 110.881 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.626 HG11 ' HB3' ' A' ' 45' ' ' CYS . 9.4 t -79.91 139.32 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 64.109999999999999 111.136 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.31 7.81 2.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 73.420000000000002 111.097 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -145.31 154.3 42.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.231 -0.44 . . . . 73.099999999999994 110.934 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.7 m -103.95 141.44 36.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 62.530000000000001 110.879 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.2 ttt -116.26 138.34 51.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 64.010000000000005 110.834 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 67.8 m -142.71 110.34 5.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 51.020000000000003 111.134 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 54.2 m -106.94 99.95 9.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 43.149999999999999 111.129 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -98.1 99.44 10.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 71.409999999999997 110.891 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 48.0 m -94.35 150.86 19.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 75.340000000000003 111.143 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -134.81 106.2 6.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 75.530000000000001 110.919 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -84.66 -63.2 1.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 73.439999999999998 110.892 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.511 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -115.97 160.21 36.23 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.615 0.721 . . . . 72.239999999999995 111.137 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.511 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.5 Cg_endo -69.82 -3.49 12.15 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.622 2.215 . . . . 64.140000000000001 112.329 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.7 p -126.28 -1.82 6.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 72.099999999999994 111.133 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.9 mtp-105 -146.44 133.47 20.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 71.150000000000006 110.855 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 7.9 ptp -146.5 178.08 8.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 74.099999999999994 110.895 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 10' ' ' ASN . 0.2 OUTLIER -152.68 136.54 16.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 71.349999999999994 110.902 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.703 HG21 ' OD1' ' A' ' 13' ' ' ASN . 12.6 p -126.88 146.15 33.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 75.120000000000005 111.099 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 p -139.11 133.57 31.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 75.030000000000001 110.869 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -136.25 147.03 47.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 44.329999999999998 110.896 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.509 ' HA ' HG22 ' A' ' 6' ' ' VAL . 27.1 p -165.99 175.63 8.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 71.310000000000002 110.822 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.626 ' HB3' HG11 ' A' ' 24' ' ' VAL . 11.0 m -93.9 136.95 33.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.071 -0.513 . . . . 34.43 110.91 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.533 ' O ' HG13 ' A' ' 24' ' ' VAL . 34.3 m -150.11 152.26 33.44 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.718 . . . . 73.510000000000005 111.153 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -48.07 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 54.539999999999999 112.338 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 27.9 mtp180 -134.75 121.92 21.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 71.310000000000002 110.933 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 29.7 t -125.21 134.78 52.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 63.200000000000003 110.885 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -119.61 153.19 35.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 73.420000000000002 110.887 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -65.05 159.96 22.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 62.539999999999999 110.909 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.555 HG23 ' CB ' ' A' ' 64' ' ' THR . 0.7 OUTLIER -74.25 143.97 44.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 52.200000000000003 111.141 -179.915 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.423 HG22 ' N ' ' A' ' 54' ' ' TYR . 7.7 p -135.46 160.77 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 75.319999999999993 111.138 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.423 ' N ' HG22 ' A' ' 53' ' ' VAL . 12.4 m-85 -143.93 176.49 9.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 73.409999999999997 110.91 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -161.55 80.68 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.505 . . . . 73.530000000000001 110.836 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -164.9 -84.91 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 72.319999999999993 112.476 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -140.98 -76.05 0.31 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.909 0.385 . . . . 64.010000000000005 110.909 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.8 m -156.05 110.53 2.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 72.140000000000001 110.875 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.7 mtmm -145.22 87.54 1.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 74.400000000000006 110.874 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 20.6 p80 -105.3 37.32 2.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 54.100000000000001 110.868 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.4 7.76 24.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 52.109999999999999 111.1 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.3 p -155.69 123.32 5.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 72.439999999999998 110.869 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.82 107.82 9.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 55.100000000000001 111.118 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.555 ' CB ' HG23 ' A' ' 52' ' ' THR . 98.3 m -95.29 118.54 32.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 62.310000000000002 111.173 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.4 p -106.4 148.89 27.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 41.009999999999998 110.847 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.9 m -137.6 144.72 42.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 74.040000000000006 110.912 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -148.78 177.0 9.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 51.439999999999998 110.862 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -130.18 8.26 5.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 71.329999999999998 110.927 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -95.8 147.3 23.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 64.120000000000005 110.912 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -61.14 134.54 57.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 70.040000000000006 110.823 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.503 HD22 ' HB3' ' A' ' 17' ' ' PRO . 15.7 mt 49.99 31.09 4.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 63.229999999999997 110.9 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.3 p -65.33 -30.43 71.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 64.5 110.842 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 51.1 p-10 -94.69 25.6 3.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 54.420000000000002 110.902 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 54.299999999999997 112.491 179.97 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 tpt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.779 0.324 . . . . 63.240000000000002 110.897 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.5 tp -142.59 147.42 35.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 74.450000000000003 110.895 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -122.61 135.17 54.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 71.109999999999999 110.867 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.5 m -139.93 165.31 27.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 44.219999999999999 110.837 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -82.99 113.87 20.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 71.310000000000002 110.836 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.461 HG22 ' HA ' ' A' ' 44' ' ' SER . 77.1 t -109.15 103.76 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 75.120000000000005 111.126 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.6 p -176.05 166.21 2.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 55.310000000000002 110.856 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -141.9 131.01 23.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 70.129999999999995 111.115 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -144.75 149.94 36.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 73.0 110.949 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -92.0 64.08 4.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 74.25 110.865 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.03 -135.29 1.79 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 63.020000000000003 112.46 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -67.22 -78.52 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.824 0.345 . . . . 53.240000000000002 110.87 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.801 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.4 OUTLIER -168.08 120.74 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 71.129999999999995 110.892 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.1 p -77.23 160.18 29.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 74.430000000000007 110.847 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -122.26 121.5 36.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 62.509999999999998 110.879 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -162.77 87.82 1.35 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.564 0.697 . . . . 64.040000000000006 110.874 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 121.23 7.92 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.654 2.236 . . . . 60.210000000000001 112.309 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -132.8 132.64 42.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 73.219999999999999 110.863 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -74.59 122.24 22.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 73.209999999999994 110.886 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.445 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 4.7 m -72.64 156.28 90.23 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.66 0.743 . . . . 74.25 110.889 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.445 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.1 Cg_endo -69.71 -167.81 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.702 2.268 . . . . 43.420000000000002 112.343 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.16 39.91 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 75.200000000000003 111.096 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 17.3 ptm -141.28 -31.18 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 61.109999999999999 110.895 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.593 HG11 ' HB3' ' A' ' 45' ' ' CYS . 6.1 t -88.81 139.6 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 71.519999999999996 111.096 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -138.98 10.83 2.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 65.450000000000003 111.113 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -145.16 151.32 38.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 72.209999999999994 110.917 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.2 m -104.35 139.72 38.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 72.129999999999995 110.905 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.8 ttp -115.29 140.01 49.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 64.219999999999999 110.886 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 85.8 m -144.26 110.21 5.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 72.209999999999994 111.168 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.2 m -108.4 100.99 10.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 64.010000000000005 111.11 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -97.26 97.57 9.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 74.450000000000003 110.869 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.0 m -81.34 159.18 24.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 42.25 111.146 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -133.85 105.73 6.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 62.539999999999999 110.907 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -91.65 -75.1 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 74.540000000000006 110.96 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.527 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -111.09 160.63 28.29 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.633 0.73 . . . . 74.150000000000006 111.13 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.527 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.6 Cg_endo -69.78 -4.56 14.28 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.69 2.26 . . . . 52.340000000000003 112.345 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.1 p -123.52 -4.69 8.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 73.329999999999998 111.19 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.4 mmt-85 -145.84 123.58 11.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 75.239999999999995 110.85 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 4.3 ptp -126.73 174.06 9.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 60.009999999999998 110.916 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -137.66 147.96 45.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 61.409999999999997 110.906 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.801 HG11 ' HA ' ' A' ' 13' ' ' ASN . 9.3 p -140.57 147.43 23.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 65.430000000000007 111.17 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -145.33 130.05 18.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 73.140000000000001 110.88 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -135.07 145.32 47.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 62.039999999999999 110.862 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.461 ' HA ' HG22 ' A' ' 6' ' ' VAL . 2.4 p -165.24 177.6 7.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 64.239999999999995 110.83 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.593 ' HB3' HG11 ' A' ' 24' ' ' VAL . 4.0 m -99.94 135.62 41.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 53.340000000000003 110.902 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.509 ' O ' HG13 ' A' ' 24' ' ' VAL . 34.2 m -150.05 152.0 33.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.604 0.716 . . . . 72.420000000000002 111.154 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.403 ' HB2' ' HD2' ' A' ' 48' ' ' ARG . 53.4 Cg_endo -69.84 -46.19 1.28 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.65 2.233 . . . . 75.230000000000004 112.34 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.403 ' HD2' ' HB2' ' A' ' 47' ' ' PRO . 0.3 OUTLIER -133.7 127.69 33.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 74.230000000000004 110.888 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.4 t -130.03 129.73 44.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 74.299999999999997 110.888 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -114.59 147.96 38.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 65.430000000000007 110.883 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -65.0 164.13 13.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 73.519999999999996 110.876 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.86 146.92 41.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 73.319999999999993 111.115 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.417 HG12 ' N ' ' A' ' 54' ' ' TYR . 5.8 t -95.02 158.7 2.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 74.430000000000007 111.112 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.417 ' N ' HG12 ' A' ' 53' ' ' VAL . 5.6 t80 -143.98 98.96 3.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 71.450000000000003 110.9 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -148.7 70.13 1.11 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 62.210000000000001 110.881 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -164.74 -93.63 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 23.239999999999998 112.475 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -136.78 -43.45 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.93 0.395 . . . . 74.319999999999993 110.943 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -165.96 83.63 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 71.319999999999993 110.855 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -95.76 27.3 3.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 73.409999999999997 110.909 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -95.64 29.44 2.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 63.509999999999998 110.825 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.16 -8.65 57.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 60.100000000000001 111.097 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t -156.44 125.32 5.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 74.239999999999995 110.897 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.2 m -107.63 109.8 21.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 73.329999999999998 111.141 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.4 m -94.76 106.53 18.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 55.020000000000003 111.158 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.95 140.75 31.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 75.140000000000001 110.834 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.0 m -130.61 139.77 50.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 70.109999999999999 110.866 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -147.24 178.1 8.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 72.540000000000006 110.887 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -131.58 7.82 4.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 72.420000000000002 110.905 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -96.1 147.79 23.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 64.420000000000002 110.943 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -61.45 134.9 57.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 71.510000000000005 110.899 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 37.2 mt 50.05 30.59 4.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 70.25 110.897 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.2 p -65.4 -27.7 68.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 64.129999999999995 110.881 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 49.7 p-10 -93.15 26.05 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 72.400000000000006 110.924 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 71.010000000000005 112.513 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.815 0.341 . . . . 73.510000000000005 110.903 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 15.1 tp -153.33 148.34 26.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 63.140000000000001 110.893 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -118.5 132.58 56.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.469 . . . . 64.329999999999998 110.892 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 15.0 m -138.44 164.55 29.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 63.420000000000002 110.892 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -83.89 112.42 20.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 75.519999999999996 110.876 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.504 HG22 ' HA ' ' A' ' 44' ' ' SER . 73.6 t -110.46 106.97 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 74.329999999999998 111.142 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.0 p -175.92 -177.82 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 61.439999999999998 110.852 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -155.19 134.55 12.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 64.129999999999995 111.075 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.441 ' O ' HG12 ' A' ' 41' ' ' VAL . 66.5 t80 -149.45 151.04 33.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 75.120000000000005 110.948 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -93.05 66.07 4.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 73.010000000000005 110.927 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.75 -138.89 2.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 72.340000000000003 112.537 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -64.03 -74.32 0.1 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.823 0.344 . . . . 72.239999999999995 110.89 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.7 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -166.61 125.69 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 74.420000000000002 110.85 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.0 p -75.94 165.84 24.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 74.129999999999995 110.919 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -133.31 117.78 17.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 65.519999999999996 110.902 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -160.85 83.93 1.94 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.597 0.713 . . . . 73.349999999999994 110.889 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 116.0 4.36 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.668 2.245 . . . . 72.219999999999999 112.331 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 32.0 tpp -134.31 134.19 41.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 74.420000000000002 110.89 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 -71.44 130.02 40.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 74.310000000000002 110.833 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.501 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 4.9 m -76.19 157.81 82.64 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.626 0.726 . . . . 63.109999999999999 110.879 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.501 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.7 Cg_endo -69.83 -169.61 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.247 . . . . 71.530000000000001 112.288 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.14 41.64 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 70.439999999999998 111.099 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.4 ptp -143.84 -28.07 0.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 54.210000000000001 110.892 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.637 HG11 ' HB3' ' A' ' 45' ' ' CYS . 5.8 t -94.39 138.15 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 71.420000000000002 111.103 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.55 6.34 3.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 53.149999999999999 111.089 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -139.99 154.51 47.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 70.340000000000003 110.908 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.4 m -104.54 137.07 42.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 61.530000000000001 110.819 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.2 ttm -113.14 139.67 48.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 72.510000000000005 110.864 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.474 ' O ' HG23 ' A' ' 64' ' ' THR . 85.7 m -141.94 129.64 21.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 74.109999999999999 111.138 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.6 m -126.09 99.4 5.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 63.109999999999999 111.169 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -97.69 100.23 11.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 65.319999999999993 110.859 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.404 HG21 ' CZ ' ' A' ' 34' ' ' TYR . 99.3 m -95.95 143.96 26.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 71.019999999999996 111.154 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -139.24 122.4 16.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 64.120000000000005 110.923 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.404 ' CZ ' HG21 ' A' ' 32' ' ' THR . 45.4 m-85 -105.02 -49.66 3.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 74.430000000000007 110.896 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.522 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -129.96 160.98 62.48 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.556 0.693 . . . . 74.25 111.169 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.522 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 54.0 Cg_endo -69.71 -5.39 16.06 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.672 2.248 . . . . 72.25 112.354 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.3 p -123.83 -1.7 8.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 74.340000000000003 111.135 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -143.98 115.53 8.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 73.010000000000005 110.856 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.4 ptp -132.78 167.65 19.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 63.520000000000003 110.91 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -142.78 138.89 30.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 71.239999999999995 110.894 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.7 HG11 ' HA ' ' A' ' 13' ' ' ASN . 7.3 p -133.58 151.3 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 73.5 111.169 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 p -152.67 132.12 12.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 73.129999999999995 110.879 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -135.45 149.28 49.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 62.450000000000003 110.878 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.504 ' HA ' HG22 ' A' ' 6' ' ' VAL . 86.1 p -165.62 175.71 8.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 74.219999999999999 110.892 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.637 ' HB3' HG11 ' A' ' 24' ' ' VAL . 1.8 m -98.66 137.67 36.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 62.310000000000002 110.858 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.558 ' O ' HG13 ' A' ' 24' ' ' VAL . 35.2 m -146.91 152.61 44.46 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.659 0.742 . . . . 74.049999999999997 111.108 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -42.86 3.02 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.696 2.264 . . . . 62.229999999999997 112.326 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -133.64 130.65 38.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 73.540000000000006 110.838 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 27.4 t -143.23 146.65 33.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 62.149999999999999 110.85 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.19 167.8 21.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 71.200000000000003 110.895 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -66.99 135.62 54.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 75.219999999999999 110.862 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 30.9 m -80.62 100.81 8.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.494 . . . . 50.030000000000001 111.208 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 29.2 t -83.85 90.42 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 73.129999999999995 111.119 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -146.77 91.43 2.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 72.329999999999998 110.918 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -168.1 96.56 0.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 75.519999999999996 110.92 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -162.16 -53.35 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.712 -0.756 . . . . 74.0 112.485 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -139.82 -39.21 0.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.379 . . . . 75.299999999999997 110.948 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.3 t -73.62 -178.13 2.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 65.150000000000006 110.895 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -74.25 109.26 7.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 65.439999999999998 110.928 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 29.6 p80 -105.35 39.23 1.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 74.030000000000001 110.832 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.54 37.7 0.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 52.32 111.106 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -155.8 127.21 7.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 54.329999999999998 110.847 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.47 133.23 54.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 61.43 111.163 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.474 HG23 ' O ' ' A' ' 29' ' ' THR . 23.3 m -112.34 134.83 53.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.438 . . . . 72.099999999999994 111.1 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.3 m -124.39 138.28 54.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 74.340000000000003 110.85 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.2 m -127.35 159.09 35.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 72.239999999999995 110.841 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -163.13 179.81 7.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 64.25 110.845 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -133.77 10.36 3.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 71.340000000000003 110.949 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -96.81 146.86 24.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 64.25 110.937 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -57.71 131.83 51.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 71.5 110.898 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 29.7 mt 49.82 32.86 5.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 70.420000000000002 110.898 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.1 p -65.66 -29.95 70.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 72.420000000000002 110.922 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 50.9 p-10 -93.06 25.67 3.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 71.239999999999995 110.941 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.738 . . . . 61.020000000000003 112.494 179.973 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.803 0.335 . . . . 73.129999999999995 110.865 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 53.0 tp -97.09 147.77 23.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 64.310000000000002 110.909 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -110.72 134.97 52.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 72.239999999999995 110.866 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m -156.25 171.89 19.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 75.140000000000001 110.861 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -83.7 109.59 17.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 63.5 110.885 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.411 HG22 ' HA ' ' A' ' 44' ' ' SER . 84.8 t -108.87 103.22 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 60.119999999999997 111.101 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.6 p -170.41 -178.13 2.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 64.329999999999998 110.873 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -153.13 134.25 14.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 74.200000000000003 111.084 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -148.27 150.93 34.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 71.040000000000006 110.925 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -95.81 63.79 2.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 73.019999999999996 110.853 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.81 -134.76 1.7 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 71.150000000000006 112.482 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -66.32 -79.5 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.828 0.346 . . . . 62.229999999999997 110.921 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.707 ' HA ' HG11 ' A' ' 41' ' ' VAL . 14.5 m120 -160.29 125.12 3.83 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.172 -0.467 . . . . 73.140000000000001 110.868 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.9 p -77.1 159.21 29.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 62.439999999999998 110.863 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -130.7 118.01 20.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 74.120000000000005 110.896 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -163.31 85.22 1.35 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.638 0.732 . . . . 75.510000000000005 110.902 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 113.89 3.51 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.713 2.275 . . . . 64.409999999999997 112.376 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -136.9 142.55 42.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 63.240000000000002 110.887 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -77.21 136.3 38.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 74.219999999999999 110.883 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.486 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 5.7 m -76.32 156.88 83.38 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.637 0.732 . . . . 72.519999999999996 110.866 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.486 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.1 Cg_endo -69.73 171.79 13.79 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.741 2.294 . . . . 64.329999999999998 112.346 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.65 57.74 1.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 45.420000000000002 111.055 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.425 ' HG2' ' HG2' ' A' ' 21' ' ' PRO . 2.9 ptt? -157.85 -36.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 74.099999999999994 110.863 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.512 HG12 ' H ' ' A' ' 26' ' ' TYR . 12.2 t -93.79 155.33 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 72.230000000000004 111.116 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -151.31 28.69 0.65 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 73.349999999999994 111.09 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.512 ' H ' HG12 ' A' ' 24' ' ' VAL . 53.9 m-85 -152.17 142.76 22.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 63.310000000000002 110.92 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.3 m -104.94 127.97 53.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 71.420000000000002 110.941 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.9 ttp -115.99 140.73 48.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 61.020000000000003 110.871 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.448 HG23 ' HG2' ' A' ' 43' ' ' LYS . 55.2 m -138.44 115.37 10.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 73.109999999999999 111.107 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -104.05 98.93 8.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 43.310000000000002 111.16 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -95.87 98.81 10.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 71.030000000000001 110.841 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.419 HG21 ' CE2' ' A' ' 34' ' ' TYR . 90.3 m -85.87 142.52 28.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 65.420000000000002 111.142 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -135.64 105.83 6.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 71.239999999999995 110.893 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.419 ' CE2' HG21 ' A' ' 32' ' ' THR . 30.8 m-85 -97.64 -68.15 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 74.209999999999994 110.952 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.549 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -118.1 160.84 37.56 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.536 0.684 . . . . 75.510000000000005 111.162 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.549 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.7 Cg_endo -69.78 -3.99 13.13 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.648 2.232 . . . . 64.450000000000003 112.371 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 56.6 p -124.75 -2.93 7.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 63.32 111.155 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 42.7 mtt-85 -145.23 122.25 11.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 70.230000000000004 110.885 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.63 177.74 8.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 73.439999999999998 110.889 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -152.76 149.72 28.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 72.219999999999999 110.908 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.707 HG11 ' HA ' ' A' ' 13' ' ' ASN . 12.4 p -142.55 150.94 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 73.409999999999997 111.138 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.9 p -146.59 133.51 20.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 73.209999999999994 110.876 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.448 ' HG2' HG23 ' A' ' 29' ' ' THR . 34.0 mttm -135.97 133.11 37.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 73.040000000000006 110.867 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.411 ' HA ' HG22 ' A' ' 6' ' ' VAL . 4.9 p -166.44 165.05 17.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 52.020000000000003 110.821 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.454 ' HB3' HG11 ' A' ' 24' ' ' VAL . 91.1 m -86.77 121.24 29.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 61.200000000000003 110.904 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.481 ' C ' HG13 ' A' ' 24' ' ' VAL . 33.2 m -124.71 152.02 68.72 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.636 0.731 . . . . 70.120000000000005 111.114 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -48.81 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.663 2.242 . . . . 35.219999999999999 112.366 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 27.5 mmm-85 -107.4 146.99 30.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 75.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.5 t -84.48 135.64 34.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 71.120000000000005 110.84 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -123.68 73.09 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 75.329999999999998 110.854 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.45 169.22 3.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 73.209999999999994 110.891 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 52' ' ' THR . 5.8 t -72.85 122.08 21.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 70.219999999999999 111.166 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 85.7 t -149.66 87.35 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 71.140000000000001 111.124 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -144.59 145.09 31.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 74.510000000000005 110.904 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -166.97 93.31 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 62.200000000000003 110.858 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -161.74 -56.67 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.707 -0.758 . . . . 73.030000000000001 112.457 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -135.23 -79.27 0.44 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.893 0.377 . . . . 61.450000000000003 110.943 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.6 t -159.39 24.42 0.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 75.430000000000007 110.805 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.13 1.31 28.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 72.200000000000003 110.921 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -95.59 32.29 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 72.409999999999997 110.852 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.16 25.4 1.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 62.32 111.098 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 96.6 p -143.76 112.18 6.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 74.409999999999997 110.888 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.6 m -91.15 133.41 35.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 61.340000000000003 111.179 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.78 129.95 55.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 71.540000000000006 111.137 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.8 m -121.98 135.83 54.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 74.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 22.1 m -118.23 148.09 42.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 71.310000000000002 110.869 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.8 p -159.57 175.06 13.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 71.439999999999998 110.865 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -137.17 14.08 3.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 53.439999999999998 110.912 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.404 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 21.9 t80 -96.76 147.34 24.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 75.329999999999998 110.957 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -54.59 128.76 33.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 64.040000000000006 110.877 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.3 mt 49.03 35.36 6.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 53.219999999999999 110.951 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.404 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 28.0 p -65.5 -28.27 69.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 73.420000000000002 110.884 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.5 p-10 -94.85 25.57 4.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 72.329999999999998 110.885 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.745 -0.741 . . . . 74.25 112.481 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.3 mtt . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.804 0.335 . . . . 62.530000000000001 110.919 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 26.6 tp -143.95 149.52 36.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 70.5 110.882 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.6 128.23 50.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 72.329999999999998 110.848 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.6 m -137.75 164.28 29.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 63.409999999999997 110.917 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -83.1 102.17 11.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 73.019999999999996 110.891 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.491 HG22 ' HA ' ' A' ' 44' ' ' SER . 85.9 t -99.88 113.18 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 64.319999999999993 111.136 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.4 p -178.55 171.83 1.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 60.409999999999997 110.876 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -144.86 127.03 15.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 31.100000000000001 111.123 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -145.1 148.52 33.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 70.140000000000001 110.895 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -95.33 66.35 2.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 72.510000000000005 110.92 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.9 -138.59 2.44 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.69 -0.767 . . . . 63.229999999999997 112.485 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -62.56 -76.1 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.808 0.337 . . . . 70.340000000000003 110.911 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.743 ' HA ' HG11 ' A' ' 41' ' ' VAL . 1.1 m-20 -165.74 125.67 1.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 74.510000000000005 110.923 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.5 p -77.1 159.88 29.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 73.140000000000001 110.864 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -132.29 116.28 16.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 74.150000000000006 110.899 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -162.36 87.51 1.44 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.663 0.744 . . . . 75.25 110.884 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 122.37 9.05 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 2.258 . . . . 71.200000000000003 112.341 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -142.4 133.26 25.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 75.540000000000006 110.87 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -74.91 135.31 41.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 73.109999999999999 110.875 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.473 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 3.8 m -76.13 157.05 83.65 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.616 0.722 . . . . 74.219999999999999 110.89 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.473 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.6 Cg_endo -69.81 -171.47 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.713 2.275 . . . . 74.099999999999994 112.338 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.28 48.93 1.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 54.329999999999998 111.116 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.6 ptm -153.27 -33.69 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 74.129999999999995 110.857 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.606 HG11 ' HB3' ' A' ' 45' ' ' CYS . 14.1 t -89.43 142.95 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 54.219999999999999 111.118 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -144.72 30.11 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 64.140000000000001 111.123 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -159.04 150.09 20.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 74.25 110.902 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.6 m -104.39 126.39 51.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 74.140000000000001 110.867 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.0 ttp -102.69 139.11 38.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 62.310000000000002 110.908 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.516 ' O ' HG23 ' A' ' 64' ' ' THR . 76.0 m -137.04 135.48 37.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 74.400000000000006 111.13 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.6 m -136.28 98.06 3.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 74.040000000000006 111.164 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -97.56 102.01 13.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 64.219999999999999 110.92 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.3 m -89.09 156.93 18.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 72.239999999999995 111.151 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -133.43 102.64 5.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 73.010000000000005 110.929 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -84.88 -66.94 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 65.430000000000007 110.912 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.529 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -116.62 160.58 35.83 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.524 0.678 . . . . 43.340000000000003 111.184 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.529 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.8 Cg_endo -69.84 -5.2 15.69 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.267 . . . . 74.230000000000004 112.356 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.2 p -123.02 -3.9 8.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 61.229999999999997 111.101 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 44.7 mtt85 -145.29 130.74 18.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 70.519999999999996 110.867 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.74 174.4 10.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 73.230000000000004 110.862 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -141.88 155.32 45.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 72.030000000000001 110.875 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.743 HG11 ' HA ' ' A' ' 13' ' ' ASN . 8.5 p -140.87 147.74 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 74.120000000000005 111.115 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.29 126.41 16.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 53.340000000000003 110.788 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.467 ' HE3' HG21 ' A' ' 41' ' ' VAL . 28.0 mttt -134.89 146.84 49.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.092 -0.504 . . . . 71.209999999999994 110.901 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.491 ' HA ' HG22 ' A' ' 6' ' ' VAL . 4.6 p -164.94 172.54 12.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 71.400000000000006 110.835 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.606 ' HB3' HG11 ' A' ' 24' ' ' VAL . 1.7 m -96.75 122.17 39.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 74.329999999999998 110.905 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.517 ' O ' HG13 ' A' ' 24' ' ' VAL . 19.0 m -135.92 152.1 75.11 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.618 0.723 . . . . 72.409999999999997 111.161 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -44.58 2.01 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.679 2.253 . . . . 55.210000000000001 112.38 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -134.66 115.79 14.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 71.140000000000001 110.893 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 13.5 t -111.5 140.13 46.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 53.439999999999998 110.893 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -125.02 141.75 51.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 55.109999999999999 110.859 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -64.99 171.01 3.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 73.299999999999997 110.914 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -74.98 125.33 28.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 71.340000000000003 111.092 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 29.5 m -105.16 146.33 12.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 74.239999999999995 111.166 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -155.81 -179.28 7.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.187 -0.46 . . . . 74.129999999999995 110.938 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -165.25 82.07 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 72.340000000000003 110.863 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -164.08 -87.46 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 63.32 112.441 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -136.09 -77.21 0.43 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.874 0.368 . . . . 72.120000000000005 110.956 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.0 m -154.97 86.38 1.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 62.219999999999999 110.844 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -88.91 87.72 7.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 72.219999999999999 110.877 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -99.43 31.71 3.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 65.230000000000004 110.869 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.57 -14.04 46.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 64.409999999999997 111.07 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 82.3 p -156.59 110.92 2.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 63.43 110.849 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 m -109.44 109.49 20.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.097 -0.501 . . . . 72.400000000000006 111.136 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 29' ' ' THR . 28.7 m -99.86 137.5 38.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 75.319999999999993 111.167 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.75 152.76 48.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 63.509999999999998 110.826 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.5 m -136.85 141.34 42.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 75.230000000000004 110.895 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.2 p -153.46 172.81 16.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 73.010000000000005 110.912 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -129.12 13.42 6.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 74.150000000000006 110.9 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.424 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 15.7 t80 -96.0 145.36 25.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 72.409999999999997 110.935 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -54.42 129.79 37.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 73.5 110.875 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.6 mt 47.77 35.69 4.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 72.019999999999996 110.968 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.424 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 28.0 p -66.37 -32.71 74.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 53.340000000000003 110.915 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 44.4 p-10 -83.6 -17.3 42.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 74.329999999999998 110.909 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.698 -0.763 . . . . 63.130000000000003 112.51 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.789 0.328 . . . . 72.120000000000005 110.876 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 13.3 tp -156.05 146.76 21.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 73.120000000000005 110.891 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.2 129.99 55.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 73.209999999999994 110.855 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.1 m -136.54 166.86 22.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 72.409999999999997 110.904 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -84.05 114.6 21.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 72.140000000000001 110.86 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.409 HG22 ' HA ' ' A' ' 44' ' ' SER . 86.8 t -112.93 104.56 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 64.510000000000005 111.114 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.8 p -177.73 -175.41 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 70.209999999999994 110.878 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -154.38 136.07 14.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 74.120000000000005 111.064 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -145.67 155.01 42.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 52.210000000000001 110.902 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.417 ' HA ' ' HA ' ' A' ' 40' ' ' LYS . 78.2 m-20 -95.2 64.13 2.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 75.310000000000002 110.875 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.82 -133.75 1.55 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 70.230000000000004 112.494 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -70.42 -72.85 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 64.25 110.802 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.782 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -165.04 127.87 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 72.109999999999999 110.903 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.2 p -76.06 166.37 23.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 65.25 110.928 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -130.98 113.9 14.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 73.209999999999994 110.872 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -159.32 83.58 2.37 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.586 0.708 . . . . 43.399999999999999 110.897 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 120.03 6.88 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.683 2.255 . . . . 71.439999999999998 112.36 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.2 tpt -139.62 133.34 30.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 73.099999999999994 110.908 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -69.06 131.05 44.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 75.430000000000007 110.88 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.48 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 5.2 m -76.46 156.76 83.17 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.657 0.742 . . . . 64.239999999999995 110.891 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.48 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.3 Cg_endo -69.77 179.07 3.96 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.695 2.263 . . . . 75.120000000000005 112.32 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.07 55.42 1.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 70.099999999999994 111.081 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.1 ptm -157.67 -34.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 74.450000000000003 110.872 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.634 HG11 ' HB3' ' A' ' 45' ' ' CYS . 16.8 t -90.79 144.05 9.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 74.430000000000007 111.158 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -140.9 11.41 2.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 72.310000000000002 111.079 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -144.09 154.91 43.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 64.010000000000005 110.935 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.6 m -104.04 140.58 37.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 73.239999999999995 110.861 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.7 ttt -121.9 140.66 52.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 41.310000000000002 110.897 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 94.1 m -146.28 115.56 7.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 75.430000000000007 111.13 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.1 m -113.72 102.14 9.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 72.299999999999997 111.142 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -98.23 109.99 22.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 75.420000000000002 110.878 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.9 158.04 16.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 75.230000000000004 111.131 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.424 ' O ' ' HB1' ' A' ' 61' ' ' ALA . 9.0 m-85 -139.64 101.51 4.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.253 -0.43 . . . . 73.200000000000003 110.91 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -84.58 -57.8 2.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.079 -0.51 . . . . 73.409999999999997 110.906 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.529 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -123.6 160.4 51.12 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.599 0.714 . . . . 73.150000000000006 111.124 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.529 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.6 Cg_endo -69.76 -3.73 12.6 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.654 2.236 . . . . 73.109999999999999 112.358 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 p -125.79 -1.53 7.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 64.319999999999993 111.132 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -145.88 129.55 17.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 70.140000000000001 110.891 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -146.05 176.56 9.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 73.510000000000005 110.909 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -150.74 144.74 25.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 73.319999999999993 110.919 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.782 HG11 ' HA ' ' A' ' 13' ' ' ASN . 9.0 p -128.64 146.73 33.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.254 -0.43 . . . . 63.109999999999999 111.148 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.02 132.59 34.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 71.040000000000006 110.881 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -134.79 144.04 47.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 73.129999999999995 110.908 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.409 ' HA ' HG22 ' A' ' 6' ' ' VAL . 63.6 p -162.3 178.57 8.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 71.420000000000002 110.827 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.634 ' HB3' HG11 ' A' ' 24' ' ' VAL . 3.3 m -103.25 128.7 50.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 71.150000000000006 110.876 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.505 ' O ' HG13 ' A' ' 24' ' ' VAL . 33.1 m -143.13 152.29 57.72 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.592 0.71 . . . . 71.409999999999997 111.135 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -45.63 1.49 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.673 2.249 . . . . 72.109999999999999 112.328 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 44.3 mtm180 -134.03 130.18 37.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 75.120000000000005 110.886 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.6 t -133.28 136.06 45.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 71.200000000000003 110.877 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -111.23 159.15 18.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 64.129999999999995 110.874 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -85.24 131.31 34.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 72.129999999999995 110.914 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.03 94.87 8.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 73.439999999999998 111.147 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 68.8 t -139.77 119.77 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 55.310000000000002 111.17 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -142.96 179.57 6.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 63.149999999999999 110.901 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -159.49 85.98 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 75.239999999999995 110.854 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 107.51 52.3 0.72 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 62.43 112.47 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -153.85 -39.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.897 0.38 . . . . 62.149999999999999 110.922 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 60.3 p -160.81 -167.24 1.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 74.319999999999993 110.862 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.8 ptpt -74.23 122.13 22.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 72.209999999999994 110.901 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -98.08 29.17 3.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 74.340000000000003 110.883 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.424 ' HB1' ' O ' ' A' ' 33' ' ' TYR . . . -88.92 13.46 12.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 74.239999999999995 111.13 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.4 p -133.58 127.45 33.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 74.010000000000005 110.87 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 18.7 p -119.52 116.17 25.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 70.400000000000006 111.14 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.1 m -96.56 109.26 21.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 73.209999999999994 111.114 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.0 t -93.64 147.05 23.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 75.510000000000005 110.83 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.2 m -137.1 137.37 39.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 70.200000000000003 110.894 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.04 179.98 7.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 54.219999999999999 110.871 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -134.49 9.7 3.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 65.140000000000001 110.915 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -96.42 147.81 23.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.426 . . . . 74.420000000000002 110.893 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -59.21 133.34 56.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.089 -0.505 . . . . 71.310000000000002 110.875 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.9 mt 48.92 32.71 3.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 72.340000000000003 110.888 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.3 p -66.52 -27.42 67.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 70.349999999999994 110.881 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 44.1 p-10 -94.12 26.54 3.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 52.009999999999998 110.903 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 72.430000000000007 112.52 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 mtt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.785 0.326 . . . . 63.450000000000003 110.87 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.5 tp -155.1 148.73 25.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 74.530000000000001 110.951 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -115.94 131.75 56.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 73.329999999999998 110.894 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.4 m -140.23 167.12 22.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 62.420000000000002 110.907 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -84.11 112.36 20.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 71.030000000000001 110.825 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 63.9 t -109.07 103.74 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 75.530000000000001 111.162 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.9 p -175.71 168.47 3.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 75.040000000000006 110.892 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -142.17 129.07 20.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 60.240000000000002 111.122 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -144.3 146.86 32.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 71.340000000000003 110.932 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.411 ' HA ' ' HA ' ' A' ' 40' ' ' LYS . 6.7 m-80 -90.11 64.51 6.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 71.409999999999997 110.86 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.13 -140.67 2.93 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.748 . . . . 64.510000000000005 112.49 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -62.22 -77.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.342 . . . . 72.230000000000004 110.875 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.797 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.6 OUTLIER -167.07 121.19 1.02 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 61.43 110.904 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.5 p -76.54 158.16 31.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 74.140000000000001 110.89 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -123.56 119.48 30.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 72.310000000000002 110.861 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -160.55 83.83 2.03 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.581 0.705 . . . . 61.119999999999997 110.835 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 117.75 5.27 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.708 2.272 . . . . 73.209999999999994 112.321 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -137.84 133.42 33.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 70.5 110.887 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -70.58 131.98 44.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 74.5 110.889 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.504 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 5.0 m -75.19 157.71 84.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.619 0.724 . . . . 52.119999999999997 110.88 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.504 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.4 Cg_endo -69.73 179.04 3.96 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.713 2.275 . . . . 65.099999999999994 112.35 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.39 52.68 1.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 74.319999999999993 111.118 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.7 ptt? -156.96 -37.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 73.409999999999997 110.892 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.641 HG11 ' HB3' ' A' ' 45' ' ' CYS . 22.0 t -83.52 143.42 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 54.200000000000003 111.143 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.26 32.32 1.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 61.109999999999999 111.095 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -161.17 148.18 14.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 75.219999999999999 110.932 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.4 m -104.61 130.39 52.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 63.340000000000003 110.91 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 17.4 ttp -108.43 142.59 38.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 75.549999999999997 110.83 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 98.6 m -142.74 105.72 4.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 62.340000000000003 111.126 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 52.3 m -103.65 97.54 7.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 54.43 111.132 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -97.11 98.98 10.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 62.240000000000002 110.878 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.9 m -86.54 157.15 19.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 53.210000000000001 111.153 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -134.85 104.85 6.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.259 -0.428 . . . . 73.219999999999999 110.945 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -83.86 -62.5 1.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 75.409999999999997 110.908 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.563 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -124.33 161.25 48.77 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.614 0.721 . . . . 71.200000000000003 111.114 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.563 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.3 Cg_endo -69.81 -2.49 10.3 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.685 2.257 . . . . 72.140000000000001 112.338 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.5 p -122.1 -5.21 8.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 74.409999999999997 111.137 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -147.49 136.79 22.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 74.450000000000003 110.882 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.41 175.05 10.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 74.129999999999995 110.879 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 10' ' ' ASN . 0.4 OUTLIER -145.44 153.58 41.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 71.140000000000001 110.908 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.797 HG11 ' HA ' ' A' ' 13' ' ' ASN . 7.3 p -137.81 148.36 25.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 71.439999999999998 111.119 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.98 115.18 8.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 44.119999999999997 110.893 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.551 ' HE3' HG21 ' A' ' 41' ' ' VAL . 40.5 mttt -120.62 145.31 47.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 75.239999999999995 110.893 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 52.2 p -165.11 167.58 18.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 53.229999999999997 110.859 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.641 ' HB3' HG11 ' A' ' 24' ' ' VAL . 3.3 m -92.2 121.05 33.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 60.240000000000002 110.9 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.512 ' O ' HG13 ' A' ' 24' ' ' VAL . 33.3 m -134.39 152.32 77.8 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.647 0.736 . . . . 74.450000000000003 111.128 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -42.27 3.51 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.697 2.265 . . . . 51.439999999999998 112.317 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? -134.02 127.89 33.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 72.430000000000007 110.87 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 35.4 t -129.39 131.19 46.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 62.409999999999997 110.893 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -123.52 144.09 49.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 62.219999999999999 110.894 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -64.8 175.64 1.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 64.010000000000005 110.899 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.1 t -74.09 147.76 42.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 65.040000000000006 111.131 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.417 ' O ' HG13 ' A' ' 53' ' ' VAL . 4.3 p -104.9 117.94 51.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 74.230000000000004 111.091 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -147.41 164.3 33.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.467 . . . . 74.409999999999997 110.929 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -166.37 88.42 0.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 75.099999999999994 110.83 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -163.1 -94.06 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.725 -0.75 . . . . 55.240000000000002 112.454 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -135.41 -52.16 0.76 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.889 0.376 . . . . 72.010000000000005 110.912 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.9 t -155.89 160.3 40.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 61.210000000000001 110.883 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -148.42 91.59 1.92 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 44.119999999999997 110.919 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 24.5 p-80 -98.47 33.27 2.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 65.329999999999998 110.863 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.75 -77.07 0.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 72.329999999999998 111.087 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.8 t -144.77 137.39 26.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 43.240000000000002 110.857 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.21 126.27 52.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 73.340000000000003 111.124 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.5 m -98.11 107.3 19.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 55.450000000000003 111.143 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.7 m -94.54 131.83 39.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 74.430000000000007 110.85 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.0 m -124.51 139.56 53.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 53.32 110.899 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.4 p -155.0 170.62 21.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 72.310000000000002 110.848 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.8 tm0? -127.49 14.19 7.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 74.409999999999997 110.906 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.443 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 17.7 t80 -96.71 146.15 25.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 74.420000000000002 110.898 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -56.48 130.47 45.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.055 -0.52 . . . . 73.25 110.88 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.9 mt 49.21 33.65 5.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 60.119999999999997 110.903 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.443 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 29.1 p -66.23 -27.97 68.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 73.519999999999996 110.859 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 46.6 p-10 -93.8 26.5 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 70.120000000000005 110.9 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.749 . . . . 40.030000000000001 112.496 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 tpt . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.81 0.338 . . . . 73.209999999999994 110.865 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.4 HD22 ' HG2' ' A' ' 68' ' ' GLN . 58.3 tp -145.58 147.98 32.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 72.150000000000006 110.881 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.433 ' HA ' ' HA ' ' A' ' 19' ' ' ARG . 1.6 m-20 -116.7 139.69 50.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 72.239999999999995 110.854 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m -155.92 176.55 12.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 74.219999999999999 110.891 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.402 ' HA ' ' O ' ' A' ' 16' ' ' ASN . 82.6 m-70 -87.87 112.44 22.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 75.209999999999994 110.873 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.497 HG13 ' HA ' ' A' ' 44' ' ' SER . 72.8 t -111.04 109.59 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 73.540000000000006 111.135 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.5 p -176.85 177.48 1.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 61.329999999999998 110.924 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -150.22 134.11 16.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 75.209999999999994 111.142 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -153.32 146.85 24.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 72.129999999999995 110.854 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -95.28 67.42 2.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 73.329999999999998 110.926 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.67 -136.07 1.93 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.758 -0.734 . . . . 61.229999999999997 112.494 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.6 -77.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 55.020000000000003 110.838 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.757 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.9 OUTLIER -166.45 123.17 1.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 55.409999999999997 110.876 -179.882 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.0 p -77.06 154.66 33.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 74.310000000000002 110.897 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -127.99 122.37 32.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 74.140000000000001 110.866 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.402 ' O ' ' HA ' ' A' ' 5' ' ' HIS . 63.2 t-20 -161.94 87.93 1.5 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.646 0.736 . . . . 64.329999999999998 110.876 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 106.96 1.76 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.669 2.246 . . . . 63.030000000000001 112.363 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.6 tpp -139.27 134.88 33.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 65.420000000000002 110.883 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.433 ' HA ' ' HA ' ' A' ' 3' ' ' ASP . 12.3 ttm-85 -77.49 151.81 34.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 74.140000000000001 110.906 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.525 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 3.2 m -81.97 159.4 65.77 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.637 0.732 . . . . 62.310000000000002 110.896 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.525 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.2 Cg_endo -69.75 -177.79 2.04 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 54.439999999999998 112.327 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.78 52.55 1.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 33.310000000000002 111.119 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -157.98 -39.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 52.299999999999997 110.897 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.706 HG11 ' HB3' ' A' ' 45' ' ' CYS . 53.4 t -85.88 148.36 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 75.430000000000007 111.164 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -147.42 32.76 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 70.510000000000005 111.071 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -156.61 153.47 28.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 73.299999999999997 110.963 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.8 m -110.1 133.12 53.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.503 . . . . 44.140000000000001 110.892 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.3 ttt -113.33 137.05 52.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 74.409999999999997 110.875 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.447 ' O ' HG23 ' A' ' 64' ' ' THR . 96.7 m -135.43 125.42 25.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 71.140000000000001 111.109 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.0 m -126.59 97.54 5.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 64.310000000000002 111.165 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -95.22 100.6 12.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 64.030000000000001 110.876 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.2 m -94.16 138.88 31.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 34.100000000000001 111.155 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -142.95 127.97 18.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 74.5 110.946 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -105.26 -45.33 4.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 42.43 110.952 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.591 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -136.26 162.75 54.63 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.627 0.727 . . . . 70.340000000000003 111.111 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.591 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 54.1 Cg_endo -69.72 -2.33 9.95 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.653 2.235 . . . . 73.0 112.368 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.7 p -122.35 -2.65 9.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 74.200000000000003 111.193 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -147.3 120.15 8.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 63.140000000000001 110.905 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.6 ptp -144.9 176.5 9.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 53.109999999999999 110.852 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -153.21 154.05 33.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 74.349999999999994 110.93 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.757 HG11 ' HA ' ' A' ' 13' ' ' ASN . 14.2 p -139.05 149.51 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 74.030000000000001 111.128 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.31 127.04 15.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 75.409999999999997 110.855 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.406 ' HE3' HG21 ' A' ' 41' ' ' VAL . 27.3 mttt -135.43 140.1 44.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 64.209999999999994 110.892 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.497 ' HA ' HG13 ' A' ' 6' ' ' VAL . 11.1 p -165.9 174.16 9.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 73.209999999999994 110.868 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.706 ' HB3' HG11 ' A' ' 24' ' ' VAL . 4.0 m -98.13 125.61 43.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 50.229999999999997 110.845 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.518 ' O ' HG13 ' A' ' 24' ' ' VAL . 28.3 m -132.3 153.0 81.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.596 0.712 . . . . 74.120000000000005 111.103 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -42.74 3.18 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.654 2.236 . . . . 63.530000000000001 112.353 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -134.48 107.27 7.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 74.019999999999996 110.915 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 52.6 t -101.92 145.09 29.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 73.019999999999996 110.886 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -137.85 147.61 44.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 73.310000000000002 110.868 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -64.78 173.54 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 72.209999999999994 110.911 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 35.2 m -74.63 128.98 36.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 74.239999999999995 111.176 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.3 m -139.45 154.66 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 62.049999999999997 111.155 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -164.95 170.96 14.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 73.120000000000005 110.956 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -144.5 42.4 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 71.239999999999995 110.867 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -103.66 -94.82 2.32 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 54.100000000000001 112.469 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -139.19 -75.63 0.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.848 0.356 . . . . 72.400000000000006 110.895 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.2 t -154.91 103.7 2.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 74.219999999999999 110.858 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.0 mmmm -144.69 86.89 1.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.494 . . . . 64.129999999999995 110.924 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -105.61 33.95 3.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 72.299999999999997 110.857 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.48 16.42 5.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 52.140000000000001 111.1 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.9 m -155.26 117.29 4.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 64.299999999999997 110.877 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.1 m -116.65 113.43 22.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 55.130000000000003 111.133 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 29' ' ' THR . 22.5 m -106.4 141.12 38.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 71.340000000000003 111.174 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.2 t -132.24 155.2 48.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 74.420000000000002 110.849 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.5 m -133.96 142.28 47.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.5 . . . . 74.340000000000003 110.882 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.9 p -151.03 177.48 10.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 35.399999999999999 110.866 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.4 ' HG2' HD22 ' A' ' 2' ' ' LEU . 6.1 tt0 -139.14 12.95 2.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 70.239999999999995 110.904 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.414 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 30.3 t80 -95.99 148.9 22.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 74.439999999999998 110.894 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -53.98 129.07 32.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 74.409999999999997 110.861 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.1 mt 47.66 35.67 4.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 65.140000000000001 110.948 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.414 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 27.3 p -65.37 -29.56 70.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 74.25 110.861 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.5 p-10 -94.29 25.38 3.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 71.420000000000002 110.887 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.783 -0.722 . . . . 61.539999999999999 112.482 179.978 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.4 tpp . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.837 0.351 . . . . 73.129999999999995 110.844 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 35.4 tp -155.13 150.88 27.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 73.219999999999999 110.945 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -120.65 128.31 52.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 74.420000000000002 110.866 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.3 m -138.18 163.65 31.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 72.25 110.862 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -83.57 107.44 16.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 71.230000000000004 110.874 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.705 HG13 ' HA ' ' A' ' 44' ' ' SER . 15.5 t -104.84 108.87 25.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 72.010000000000005 111.119 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.4 p -175.52 160.69 2.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 53.119999999999997 110.868 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -134.92 130.71 36.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 73.409999999999997 111.098 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -144.48 151.27 38.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 73.420000000000002 110.877 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 -95.11 63.72 2.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 72.420000000000002 110.893 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.84 -137.99 2.31 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.764 -0.732 . . . . 74.329999999999998 112.509 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -64.7 -77.54 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.816 0.341 . . . . 61.229999999999997 110.844 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.75 ' HA ' HG11 ' A' ' 41' ' ' VAL . 1.3 p30 -167.61 122.33 1.01 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 70.510000000000005 110.858 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.5 p -76.24 177.92 6.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 52.229999999999997 110.866 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -143.82 120.99 11.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 41.340000000000003 110.863 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -163.52 87.47 1.24 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.656 0.741 . . . . 44.450000000000003 110.896 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 122.13 8.83 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.713 2.276 . . . . 73.540000000000006 112.353 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 49.0 mmm -141.14 137.78 32.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 74.129999999999995 110.866 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -75.46 133.96 40.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 62.43 110.941 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.498 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 3.9 m -76.07 157.74 82.95 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.616 0.722 . . . . 72.230000000000004 110.905 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.498 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.5 Cg_endo -69.74 175.21 8.39 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.727 2.285 . . . . 64.019999999999996 112.316 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.14 52.46 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 72.129999999999995 111.103 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.8 ptp -156.88 -39.48 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 74.319999999999993 110.865 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.688 HG11 ' HB3' ' A' ' 45' ' ' CYS . 39.3 t -82.01 146.04 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 55.420000000000002 111.14 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -147.63 31.36 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 70.030000000000001 111.053 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -158.83 147.26 18.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 73.519999999999996 110.913 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.6 m -104.82 128.11 52.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 63.009999999999998 110.904 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.9 ttm -113.68 143.91 43.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 71.209999999999994 110.864 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.691 HG23 ' HG3' ' A' ' 43' ' ' LYS . 54.4 m -145.94 118.42 8.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 53.149999999999999 111.158 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -107.16 100.1 9.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 62.130000000000003 111.143 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -97.43 97.53 9.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 71.340000000000003 110.875 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.0 m -91.54 115.49 28.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 71.299999999999997 111.13 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -105.65 120.5 41.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 63.119999999999997 110.895 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -105.59 -69.1 0.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 73.109999999999999 110.939 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.562 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -117.22 161.2 34.22 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.574 0.702 . . . . 65.200000000000003 111.148 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.562 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 54.0 Cg_endo -69.73 -5.13 15.44 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.692 2.261 . . . . 72.019999999999996 112.37 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.7 p -121.85 -5.26 9.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 75.340000000000003 111.189 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -144.45 122.75 12.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 74.099999999999994 110.815 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -141.52 166.04 25.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 74.230000000000004 110.889 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -137.81 145.71 42.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 71.230000000000004 110.927 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.75 HG11 ' HA ' ' A' ' 13' ' ' ASN . 9.4 p -142.8 145.16 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 72.409999999999997 111.104 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.23 126.91 13.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 75.0 110.899 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.691 ' HG3' HG23 ' A' ' 29' ' ' THR . 0.0 OUTLIER -129.3 145.85 51.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 73.230000000000004 110.859 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.705 ' HA ' HG13 ' A' ' 6' ' ' VAL . 82.8 p -166.05 171.99 11.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 61.119999999999997 110.9 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.688 ' HB3' HG11 ' A' ' 24' ' ' VAL . 1.7 m -94.81 123.57 38.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 61.130000000000003 110.856 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.528 ' O ' HG13 ' A' ' 24' ' ' VAL . 35.4 m -133.01 152.58 80.01 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.616 0.722 . . . . 50.219999999999999 111.127 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -44.96 1.78 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.725 2.284 . . . . 74.140000000000001 112.324 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -134.32 107.46 7.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 73.239999999999995 110.865 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.7 t -97.57 138.32 35.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 64.400000000000006 110.92 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -113.69 139.06 49.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 65.549999999999997 110.895 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -64.53 -178.33 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 71.310000000000002 110.817 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.433 HG23 ' O ' ' A' ' 52' ' ' THR . 4.1 t -73.13 115.2 12.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.082 -0.508 . . . . 74.030000000000001 111.151 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.8 t -144.85 141.63 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 60.299999999999997 111.101 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -145.54 173.42 12.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 73.030000000000001 110.917 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -165.49 89.18 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 74.340000000000003 110.85 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -162.09 -82.87 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.74 . . . . 32.32 112.496 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -136.69 -77.14 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 54.229999999999997 110.912 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 91.1 p -158.0 92.92 1.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 64.420000000000002 110.808 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -149.51 116.23 5.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 74.219999999999999 110.917 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -154.25 43.29 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 70.120000000000005 110.869 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.29 22.51 2.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 75.329999999999998 111.114 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t -155.67 135.24 12.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 74.120000000000005 110.876 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.0 131.17 53.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 71.340000000000003 111.138 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 29.4 m -100.51 131.58 46.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 73.519999999999996 111.132 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 m -113.73 129.97 56.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 62.219999999999999 110.871 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.7 m -122.62 134.86 54.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 65.340000000000003 110.865 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.6 p -155.91 173.25 17.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 43.409999999999997 110.911 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.5 tm0? -131.12 12.35 5.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 52.329999999999998 110.909 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.415 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 14.5 t80 -95.75 144.09 26.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 74.310000000000002 110.915 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -54.63 129.8 37.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.081 -0.508 . . . . 61.25 110.873 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 17.4 mt 48.58 35.38 6.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 35.009999999999998 110.945 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.415 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 26.5 p -65.78 -34.17 77.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 71.140000000000001 110.889 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 49.6 p-10 -83.5 -17.47 41.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 64.430000000000007 110.885 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 C-N-CA 120.749 -0.739 . . . . 51.310000000000002 112.504 179.957 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.805 0.336 . . . . 73.040000000000006 110.874 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 57.3 tp -135.7 147.34 48.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 61.439999999999998 110.944 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.429 ' HA ' ' HA ' ' A' ' 19' ' ' ARG . 1.6 m-20 -113.9 138.78 49.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 73.219999999999999 110.887 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m -155.97 171.58 19.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 74.129999999999995 110.906 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -84.39 111.35 19.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 73.420000000000002 110.824 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.468 HG22 ' HA ' ' A' ' 44' ' ' SER . 94.7 t -111.96 112.36 40.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 71.319999999999993 111.111 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 30.8 p -175.13 177.11 1.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 73.219999999999999 110.881 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.84 136.55 20.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 42.240000000000002 111.094 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -157.01 147.77 21.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 74.439999999999998 110.892 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -95.04 66.74 3.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 73.430000000000007 110.909 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.07 -133.93 1.56 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 62.210000000000001 112.483 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -67.4 -78.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 72.439999999999998 110.843 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.748 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -167.14 119.14 0.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 65.420000000000002 110.886 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 32.1 p -77.53 151.82 34.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 70.219999999999999 110.884 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -120.55 127.8 52.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 71.109999999999999 110.912 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -165.49 89.27 0.94 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.619 0.723 . . . . 62.229999999999997 110.935 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 107.92 1.97 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.699 2.266 . . . . 71.530000000000001 112.338 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.5 ttm -138.37 134.63 34.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 62.149999999999999 110.891 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.429 ' HA ' ' HA ' ' A' ' 3' ' ' ASP . 13.2 ttm-85 -76.9 151.15 35.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 75.510000000000005 110.903 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.511 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 16.1 m -83.93 158.1 62.35 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.676 0.75 . . . . 71.329999999999998 110.851 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.511 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.0 Cg_endo -69.75 174.05 10.07 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.266 . . . . 52.030000000000001 112.353 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.34 55.79 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 73.230000000000004 111.118 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.568 ' HG3' HG23 ' A' ' 24' ' ' VAL . 2.7 ptp -158.15 -38.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 71.329999999999998 110.883 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.587 HG11 ' HB3' ' A' ' 45' ' ' CYS . 21.3 t -92.13 149.93 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 71.030000000000001 111.151 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -148.11 39.83 0.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 75.310000000000002 111.079 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -160.59 143.82 13.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 72.019999999999996 110.91 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.7 m -105.86 133.86 49.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 65.349999999999994 110.834 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.3 ttt -124.03 144.27 49.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 73.25 110.887 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 60.6 m -143.96 118.29 9.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 43.219999999999999 111.132 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.15 101.67 10.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 51.32 111.121 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -96.17 99.77 11.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 53.009999999999998 110.864 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.9 m -94.14 141.24 28.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 73.409999999999997 111.126 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -143.45 123.02 13.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 71.219999999999999 110.938 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -105.07 -46.83 4.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 71.519999999999996 110.916 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.543 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -130.01 161.24 61.04 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.597 0.713 . . . . 55.240000000000002 111.178 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.543 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 54.2 Cg_endo -69.7 -5.12 15.41 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.666 2.244 . . . . 71.239999999999995 112.353 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.3 p -124.04 -2.85 8.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 70.510000000000005 111.145 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -141.47 114.94 8.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 62.539999999999999 110.836 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.23 175.22 10.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 65.420000000000002 110.863 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -152.41 155.9 38.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 73.519999999999996 110.921 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.748 HG11 ' HA ' ' A' ' 13' ' ' ASN . 14.9 p -140.84 150.54 20.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 33.530000000000001 111.156 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 p -144.44 122.39 12.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 54.520000000000003 110.891 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.449 ' HE2' HG21 ' A' ' 41' ' ' VAL . 24.9 mttm -129.53 133.35 47.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 75.530000000000001 110.918 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.468 ' HA ' HG22 ' A' ' 6' ' ' VAL . 53.3 p -166.6 175.06 8.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 70.120000000000005 110.845 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.587 ' HB3' HG11 ' A' ' 24' ' ' VAL . 95.4 m -91.89 136.28 33.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 70.040000000000006 110.901 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.454 ' C ' HG13 ' A' ' 24' ' ' VAL . 31.8 m -138.11 152.94 72.83 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.589 0.709 . . . . 61.210000000000001 111.143 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -46.11 1.34 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.709 2.273 . . . . 74.099999999999994 112.322 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 38.7 mtp180 -137.68 109.19 6.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 73.519999999999996 110.838 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 49.7 t -99.81 141.92 31.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 64.540000000000006 110.894 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -129.16 132.55 47.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 62.229999999999997 110.874 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -64.78 128.04 34.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 64.439999999999998 110.892 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.1 m -74.65 121.79 22.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 73.239999999999995 111.167 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.5 t -143.38 135.4 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 75.150000000000006 111.13 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -144.65 -168.24 2.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 72.420000000000002 110.927 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -158.73 89.79 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 72.450000000000003 110.892 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -160.03 -103.0 0.18 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 12.41 112.488 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -154.61 -77.57 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.92 0.39 . . . . 72.019999999999996 110.917 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.6 m -87.74 18.38 4.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 71.310000000000002 110.88 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -95.78 -2.44 47.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 75.030000000000001 110.905 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -105.57 31.51 4.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 71.340000000000003 110.907 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.14 15.3 6.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 52.439999999999998 111.119 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.9 t -155.02 129.85 9.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 64.030000000000001 110.841 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.49 117.29 24.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.496 . . . . 64.340000000000003 111.145 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.5 m -98.61 143.42 29.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 73.099999999999994 111.143 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 t -126.19 148.49 49.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 72.329999999999998 110.872 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.9 m -134.79 138.01 43.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 54.310000000000002 110.853 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 2.0 p -156.04 175.48 13.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 64.519999999999996 110.88 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -137.82 13.08 2.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 73.209999999999994 110.918 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.411 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 35.3 t80 -95.86 148.45 22.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 75.549999999999997 110.903 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -53.98 129.48 34.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 64.450000000000003 110.842 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 28.2 mt 47.5 35.91 4.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 62.439999999999998 110.884 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.411 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 27.0 p -65.32 -31.41 72.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 62.43 110.901 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 53.1 p-10 -94.04 25.64 3.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 72.25 110.891 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 C-N-CA 120.748 -0.739 . . . . 74.450000000000003 112.452 179.98 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.9 mtt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.82 0.343 . . . . 72.310000000000002 110.855 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 39.7 tp -145.73 149.73 34.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 73.040000000000006 110.929 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.27 139.11 53.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 73.439999999999998 110.816 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m -154.72 173.91 15.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 63.25 110.896 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -83.92 115.71 22.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 73.329999999999998 110.875 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.43 HG13 ' HA ' ' A' ' 44' ' ' SER . 96.5 t -113.46 102.31 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 71.409999999999997 111.142 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.5 p -175.81 -176.46 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 54.32 110.89 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -153.81 137.05 15.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.464 . . . . 75.409999999999997 111.129 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -150.1 136.65 19.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 74.010000000000005 110.935 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.447 ' HA ' ' HA ' ' A' ' 40' ' ' LYS . 0.7 OUTLIER -76.78 64.49 2.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 50.140000000000001 110.875 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.71 -138.09 2.33 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.774 -0.727 . . . . 21.140000000000001 112.522 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.69 -77.54 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.825 0.345 . . . . 72.129999999999995 110.856 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.819 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -165.58 122.73 1.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 71.219999999999999 110.868 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.3 p -76.71 157.77 31.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 63.310000000000002 110.88 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -121.9 117.75 27.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 64.310000000000002 110.923 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -161.73 84.87 1.68 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.618 0.723 . . . . 63.100000000000001 110.877 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 125.94 12.72 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.658 2.239 . . . . 51.340000000000003 112.373 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.8 tpp -145.22 138.57 26.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 71.430000000000007 110.904 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.0 tpp180 -75.28 129.93 38.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 64.430000000000007 110.88 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.5 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 5.9 m -75.5 157.34 84.55 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.601 0.715 . . . . 61.020000000000003 110.933 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.5 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.3 Cg_endo -69.68 177.26 5.7 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.686 2.257 . . . . 74.420000000000002 112.363 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.8 55.64 1.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 50.520000000000003 111.12 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 14.2 ptp -158.13 -39.09 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 74.549999999999997 110.841 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.636 HG11 ' HB3' ' A' ' 45' ' ' CYS . 20.8 t -78.05 141.07 16.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 74.340000000000003 111.12 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -139.16 11.31 2.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 72.349999999999994 111.127 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -147.69 147.62 30.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 73.230000000000004 110.883 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.9 m -103.86 125.4 50.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.505 . . . . 53.140000000000001 110.904 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.6 ttp -100.99 143.54 31.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 55.030000000000001 110.863 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 81.9 m -145.48 109.88 4.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 64.019999999999996 111.153 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.56 100.17 9.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 72.209999999999994 111.147 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -96.13 101.62 13.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 75.349999999999994 110.89 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.7 m -95.41 134.32 38.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 73.540000000000006 111.105 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.4 p90 -135.24 116.34 14.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 71.340000000000003 110.937 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -99.38 -46.33 5.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.505 . . . . 75.219999999999999 110.961 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.549 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -131.85 161.29 63.43 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.583 0.706 . . . . 71.409999999999997 111.155 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.549 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 54.0 Cg_endo -69.7 -5.42 16.14 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.722 2.282 . . . . 71.120000000000005 112.342 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.8 p -123.71 -2.34 8.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 72.25 111.128 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.3 mtt180 -142.48 113.97 7.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 71.530000000000001 110.867 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.7 ptp -137.12 175.87 9.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 62.140000000000001 110.898 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 10' ' ' ASN . 18.3 tptm -154.57 145.45 22.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 73.019999999999996 110.907 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.819 HG11 ' HA ' ' A' ' 13' ' ' ASN . 12.0 p -131.66 152.19 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 72.430000000000007 111.168 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.2 p -145.81 127.89 15.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 63.119999999999997 110.889 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.404 ' HE2' HG21 ' A' ' 41' ' ' VAL . 28.1 mttm -133.14 140.88 47.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 70.329999999999998 110.878 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.43 ' HA ' HG13 ' A' ' 6' ' ' VAL . 95.1 p -161.3 170.71 19.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 74.040000000000006 110.862 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.636 ' HB3' HG11 ' A' ' 24' ' ' VAL . 8.6 m -99.01 125.62 44.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 73.450000000000003 110.928 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.541 ' O ' HG13 ' A' ' 24' ' ' VAL . 28.6 m -139.09 152.68 70.42 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.609 0.719 . . . . 62.109999999999999 111.121 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 -40.19 5.51 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.694 2.262 . . . . 53.340000000000003 112.378 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.6 mmt85 -133.86 127.12 31.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 75.549999999999997 110.902 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 42.1 t -131.31 127.59 38.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 63.439999999999998 110.887 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -111.73 127.07 55.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 53.149999999999999 110.908 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -64.58 135.85 56.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 65.150000000000006 110.858 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.5 m -144.79 111.23 5.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 60.310000000000002 111.111 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.6 p -107.54 -33.42 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 75.109999999999999 111.121 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -166.73 69.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 73.129999999999995 110.905 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -157.42 77.66 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 74.120000000000005 110.821 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -163.62 -96.04 0.11 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.704 -0.76 . . . . 73.510000000000005 112.46 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -144.35 -42.08 0.26 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.884 0.373 . . . . 74.099999999999994 110.945 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.8 m -85.06 -175.22 5.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 71.329999999999998 110.888 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.1 mmtm -76.14 -176.66 3.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 75.129999999999995 110.867 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -88.08 38.95 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 71.010000000000005 110.852 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.74 18.66 3.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 63.240000000000002 111.096 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.6 m -155.93 126.97 7.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 62.140000000000001 110.893 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.75 114.13 21.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 74.120000000000005 111.109 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.6 m -94.67 113.42 25.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 72.099999999999994 111.161 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.65 153.35 18.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 72.219999999999999 110.833 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 13.7 m -138.94 143.72 38.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 74.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.7 p -156.45 179.98 8.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 73.420000000000002 110.875 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -139.95 12.4 2.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 74.120000000000005 110.901 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.419 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 25.8 t80 -96.03 148.09 23.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 74.310000000000002 110.909 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -54.4 128.83 33.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.103 -0.499 . . . . 63.549999999999997 110.902 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.6 mt 48.89 34.98 5.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 65.329999999999998 110.913 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.419 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 27.6 p -65.6 -27.08 68.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 54.409999999999997 110.874 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 51.6 p30 -94.6 26.27 3.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 72.109999999999999 110.856 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.747 . . . . 52.420000000000002 112.492 179.939 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.779 0.323 . . . . 74.230000000000004 110.879 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 34.8 tp -151.83 150.2 29.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 72.420000000000002 110.971 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.44 130.44 53.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 71.129999999999995 110.862 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.7 m -140.59 163.56 32.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 72.349999999999994 110.883 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -83.39 104.32 13.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 72.140000000000001 110.847 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.583 HG22 ' HA ' ' A' ' 44' ' ' SER . 84.4 t -101.77 110.93 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 53.310000000000002 111.125 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.1 p -177.43 162.84 1.92 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 44.340000000000003 110.884 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -134.89 129.23 34.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 53.200000000000003 111.102 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -145.54 147.39 32.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 73.219999999999999 110.899 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -95.32 65.29 2.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 74.430000000000007 110.874 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.19 -139.13 2.56 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.741 -0.742 . . . . 42.039999999999999 112.508 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -63.23 -75.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.856 0.36 . . . . 64.25 110.895 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.722 ' HA ' HG11 ' A' ' 41' ' ' VAL . 1.5 m-20 -165.43 126.37 1.92 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 75.209999999999994 110.863 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.8 p -77.07 173.47 11.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 60.130000000000003 110.849 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -144.46 116.05 8.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 72.430000000000007 110.919 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -162.75 87.68 1.36 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.64 0.733 . . . . 72.340000000000003 110.86 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 119.37 6.33 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.692 2.261 . . . . 73.510000000000005 112.334 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -138.88 133.77 32.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 73.099999999999994 110.87 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.4 tpp180 -75.19 133.33 41.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 72.310000000000002 110.908 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.494 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 3.4 m -76.76 157.92 81.32 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.647 0.736 . . . . 74.129999999999995 110.904 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.494 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.0 Cg_endo -69.77 -170.5 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 2.263 . . . . 61.439999999999998 112.317 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.48 36.92 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 54.149999999999999 111.107 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.2 ptp -140.79 -28.46 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 64.219999999999999 110.88 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.665 HG11 ' HB3' ' A' ' 45' ' ' CYS . 15.6 t -94.42 141.88 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 74.519999999999996 111.135 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.16 28.79 1.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 71.030000000000001 111.075 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -155.9 147.47 22.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 74.540000000000006 110.931 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.3 m -104.3 124.44 49.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 74.120000000000005 110.867 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.3 ttt -104.08 138.34 40.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 63.210000000000001 110.893 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 65.9 m -143.2 114.93 8.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 75.120000000000005 111.139 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.2 m -111.77 102.37 10.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 73.319999999999993 111.117 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -98.19 104.41 16.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 74.019999999999996 110.892 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.8 m -96.52 161.8 13.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 61.520000000000003 111.137 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -133.8 106.82 7.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 73.040000000000006 110.906 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -84.5 -70.38 0.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 71.200000000000003 110.926 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.528 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -111.97 161.05 27.56 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.632 0.73 . . . . 73.450000000000003 111.123 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.528 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.9 Cg_endo -69.76 -4.87 14.9 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.695 2.263 . . . . 71.030000000000001 112.325 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.9 p -123.58 -4.24 8.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 72.120000000000005 111.126 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.6 mtp-105 -145.03 132.85 21.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 64.5 110.902 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -134.2 170.08 16.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 65.140000000000001 110.88 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -137.55 147.72 45.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 63.340000000000003 110.873 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.722 HG11 ' HA ' ' A' ' 13' ' ' ASN . 13.5 p -136.99 150.47 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 61.229999999999997 111.158 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.5 p -143.69 129.67 19.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 71.209999999999994 110.88 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.4 mttm -135.61 145.85 47.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 63.310000000000002 110.884 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.583 ' HA ' HG22 ' A' ' 6' ' ' VAL . 75.3 p -166.5 175.68 7.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 70.420000000000002 110.835 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.665 ' HB3' HG11 ' A' ' 24' ' ' VAL . 1.6 m -100.21 120.9 40.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.493 . . . . 74.319999999999993 110.897 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.547 ' O ' HG13 ' A' ' 24' ' ' VAL . 34.4 m -131.87 152.01 79.54 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.619 0.723 . . . . 65.420000000000002 111.124 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -43.36 2.67 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.678 2.252 . . . . 72.439999999999998 112.347 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.2 mmt85 -133.9 125.05 27.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 53.299999999999997 110.875 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 41.1 t -132.13 126.32 33.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 43.210000000000001 110.842 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -111.09 140.49 45.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 72.310000000000002 110.897 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -64.12 132.31 50.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 72.310000000000002 110.914 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 93.5 m -74.4 100.41 3.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 74.319999999999993 111.16 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.455 ' O ' HG13 ' A' ' 53' ' ' VAL . 2.7 p -105.18 102.37 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 55.119999999999997 111.113 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -152.7 99.51 2.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 71.150000000000006 110.901 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -156.38 74.08 0.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 75.230000000000004 110.828 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.78 -48.79 64.51 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.702 -0.761 . . . . 62.119999999999997 112.49 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -138.18 -42.66 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.876 0.369 . . . . 72.430000000000007 110.913 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.4 t -165.49 92.24 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 65.329999999999998 110.861 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.1 mttp -146.89 111.55 5.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 71.019999999999996 110.912 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 -147.68 40.16 0.99 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 72.340000000000003 110.851 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.79 -12.2 54.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 61.140000000000001 111.114 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.7 p -157.35 138.47 13.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 74.099999999999994 110.877 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.6 t -144.76 145.71 31.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 74.019999999999996 111.173 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.8 m -122.77 134.98 54.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 73.099999999999994 111.153 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.9 m -116.1 146.26 42.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 75.329999999999998 110.862 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 5.2 m -133.84 140.61 46.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 72.099999999999994 110.874 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.1 p -152.72 178.39 9.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 64.239999999999995 110.899 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -134.2 11.59 3.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 63.450000000000003 110.934 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.421 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 18.0 t80 -95.36 146.38 24.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 72.120000000000005 110.931 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -54.28 130.42 38.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 62.32 110.836 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.8 mt 46.6 36.05 3.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 70.040000000000006 110.877 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.421 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 27.2 p -65.8 -33.49 75.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 54.140000000000001 110.9 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 45.0 p-10 -83.66 -21.26 32.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 71.519999999999996 110.929 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.737 -0.744 . . . . 64.230000000000004 112.534 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 ttp . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.797 0.332 . . . . 72.340000000000003 110.894 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 27.1 tp -155.17 148.84 25.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 74.109999999999999 110.92 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.0 140.11 51.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 73.120000000000005 110.82 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.7 m -155.9 174.32 15.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 51.340000000000003 110.923 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -83.6 118.62 23.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 72.230000000000004 110.906 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.757 HG13 ' HA ' ' A' ' 44' ' ' SER . 18.3 t -117.59 105.86 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 74.510000000000005 111.137 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.7 p -178.4 176.51 1.04 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 71.230000000000004 110.892 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -144.07 130.12 19.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 64.329999999999998 111.124 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -144.63 152.93 41.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 71.430000000000007 110.946 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 54.2 m-20 -95.16 64.54 2.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 65.319999999999993 110.921 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.19 -136.53 2.01 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 72.200000000000003 112.497 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -67.13 -76.43 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.789 0.328 . . . . 74.340000000000003 110.899 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.732 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -166.51 121.8 1.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 64.120000000000005 110.905 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.2 p -76.22 141.98 41.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 62.219999999999999 110.882 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -106.55 117.1 33.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 70.420000000000002 110.824 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -160.79 81.64 2.13 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.631 0.729 . . . . 60.299999999999997 110.902 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 122.3 8.97 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.657 2.238 . . . . 33.229999999999997 112.308 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 33.7 mmm -139.93 141.33 36.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 73.209999999999994 110.91 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -75.99 129.57 37.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 73.439999999999998 110.908 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.489 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 8.3 m -74.02 157.32 87.14 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.627 0.727 . . . . 63.329999999999998 110.914 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.489 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.6 Cg_endo -69.83 174.2 9.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.704 2.269 . . . . 71.109999999999999 112.316 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.13 53.84 0.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 74.430000000000007 111.074 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.1 ptm -156.32 -39.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 64.129999999999995 110.882 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.643 HG11 ' HB3' ' A' ' 45' ' ' CYS . 41.2 t -78.08 146.25 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 72.310000000000002 111.158 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.29 22.81 1.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 62.0 111.089 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -157.58 149.19 21.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 73.129999999999995 110.91 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.8 m -104.79 127.28 52.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 70.109999999999999 110.846 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.8 ttt -107.22 141.15 38.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 74.420000000000002 110.84 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.412 HG23 ' HG2' ' A' ' 43' ' ' LYS . 36.0 m -145.87 115.57 7.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 62.32 111.163 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 36.6 m -108.97 106.21 16.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 72.140000000000001 111.101 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.08 106.42 18.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 70.299999999999997 110.887 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.652 HG23 ' HB2' ' A' ' 62' ' ' SER . 6.5 m -95.18 156.68 16.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 73.230000000000004 111.122 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -133.85 100.95 4.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 50.520000000000003 110.919 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -85.02 -69.5 0.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 65.129999999999995 110.942 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.536 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -114.67 160.58 32.74 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.597 0.713 . . . . 74.099999999999994 111.107 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.536 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.5 Cg_endo -69.78 -5.0 15.18 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.692 2.261 . . . . 72.329999999999998 112.335 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.4 p -123.14 -4.28 8.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 74.140000000000001 111.137 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.9 mmt85 -145.52 132.11 19.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 63.43 110.863 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.84 177.28 7.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 60.530000000000001 110.862 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -141.61 144.64 34.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 74.120000000000005 110.878 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.732 HG11 ' HA ' ' A' ' 13' ' ' ASN . 5.8 p -135.66 142.99 37.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 62.299999999999997 111.128 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.54 132.14 34.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 72.340000000000003 110.855 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.412 ' HG2' HG23 ' A' ' 29' ' ' THR . 22.3 mttt -135.01 139.01 44.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 61.100000000000001 110.879 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.757 ' HA ' HG13 ' A' ' 6' ' ' VAL . 4.8 p -162.25 168.32 22.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 60.130000000000003 110.839 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.643 ' HB3' HG11 ' A' ' 24' ' ' VAL . 1.7 m -99.24 123.07 43.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 74.420000000000002 110.817 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.54 ' O ' HG13 ' A' ' 24' ' ' VAL . 34.2 m -135.26 151.55 75.22 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.639 0.733 . . . . 74.209999999999994 111.122 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -41.48 4.28 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.67 2.247 . . . . 72.430000000000007 112.366 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.7 mtp85 -134.04 119.36 18.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 72.040000000000006 110.862 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.7 t -115.95 133.62 55.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 75.120000000000005 110.903 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -126.45 136.9 53.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 65.450000000000003 110.924 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -65.18 176.88 1.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 73.209999999999994 110.863 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 10.9 t -73.68 174.91 7.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 73.439999999999998 111.133 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.4 p -137.25 124.52 30.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 51.310000000000002 111.164 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -147.26 172.27 14.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 62.43 110.93 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -165.11 87.05 0.42 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 72.340000000000003 110.856 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -162.67 -98.56 0.13 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.756 -0.735 . . . . 65.400000000000006 112.515 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -136.92 -52.26 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.911 0.386 . . . . 62.130000000000003 110.961 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.8 p -156.04 169.21 24.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.092 -0.504 . . . . 75.129999999999995 110.869 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.95 90.66 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 75.329999999999998 110.896 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -95.39 35.18 1.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 75.530000000000001 110.885 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.51 -76.43 0.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 42.409999999999997 111.1 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.652 ' HB2' HG23 ' A' ' 32' ' ' THR . 3.9 t -144.26 152.31 40.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 64.400000000000006 110.88 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.5 t -145.45 167.93 21.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 74.129999999999995 111.129 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.3 m -129.96 145.33 51.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 65.310000000000002 111.137 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.5 t -126.62 139.61 53.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 34.119999999999997 110.888 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.9 m -126.25 137.64 53.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 75.409999999999997 110.884 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.7 p -152.92 174.37 14.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 73.420000000000002 110.878 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.6 tm0? -134.27 13.87 3.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 63.530000000000001 110.934 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.441 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 17.4 t80 -96.36 145.93 25.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 73.299999999999997 110.91 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -54.61 129.18 35.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 74.010000000000005 110.889 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.5 mt 48.3 35.53 5.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 75.049999999999997 110.898 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.441 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 27.8 p -65.86 -26.44 67.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 70.439999999999998 110.876 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 -94.54 25.79 3.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 55.130000000000003 110.844 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.79 -0.719 . . . . 50.229999999999997 112.514 179.942 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.9 mtt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.803 0.335 . . . . 73.129999999999995 110.869 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 17.4 tp -155.37 148.54 24.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 64.200000000000003 110.88 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.67 133.23 56.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 63.32 110.888 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 21.8 m -139.98 168.48 19.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 74.510000000000005 110.83 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -84.33 112.81 20.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 74.430000000000007 110.836 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.437 HG22 ' HA ' ' A' ' 44' ' ' SER . 80.1 t -109.5 100.19 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 71.099999999999994 111.151 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.9 p -176.11 170.64 2.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 65.25 110.882 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -142.02 134.53 28.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 71.510000000000005 111.084 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -145.27 151.75 38.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 72.329999999999998 110.943 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -93.42 63.7 3.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 64.129999999999995 110.927 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.21 -138.02 2.32 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.749 -0.739 . . . . 55.299999999999997 112.488 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -65.98 -75.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 51.219999999999999 110.862 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.641 ' HA ' HG11 ' A' ' 41' ' ' VAL . 0.5 OUTLIER -165.88 127.05 1.86 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 64.420000000000002 110.849 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.6 p -79.94 162.42 24.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 64.140000000000001 110.855 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -125.64 115.01 19.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 75.540000000000006 110.886 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 37.7 t-20 -158.11 82.63 2.82 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.587 0.708 . . . . 72.310000000000002 110.875 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 122.25 8.92 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.699 2.266 . . . . 71.239999999999995 112.34 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -142.21 133.29 26.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 54.420000000000002 110.9 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -69.56 132.98 47.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 75.530000000000001 110.836 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.493 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 3.9 m -76.32 157.71 82.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.647 0.737 . . . . 73.099999999999994 110.865 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.493 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.1 Cg_endo -69.77 -179.68 3.08 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.733 2.289 . . . . 65.430000000000007 112.378 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.42 54.52 1.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 64.510000000000005 111.113 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.9 ptp -158.28 -39.45 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 71.5 110.882 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.706 HG11 ' HB3' ' A' ' 45' ' ' CYS . 37.4 t -84.14 144.58 9.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 53.32 111.123 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.79 27.34 1.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 74.319999999999993 111.075 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -156.4 152.63 27.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 72.420000000000002 110.873 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.1 m -104.7 141.61 36.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 73.430000000000007 110.89 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.3 ttm -120.2 143.37 48.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 64.040000000000006 110.878 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 88.0 m -145.17 111.38 5.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 72.129999999999995 111.129 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.0 m -111.64 101.77 10.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 72.030000000000001 111.14 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -97.32 103.6 15.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 75.340000000000003 110.863 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 98.5 m -87.39 136.3 32.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 70.409999999999997 111.15 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -106.25 111.99 24.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 62.340000000000003 110.92 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -98.13 -80.53 0.45 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 75.340000000000003 110.944 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.468 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.3 p -113.05 161.91 24.45 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.621 0.724 . . . . 75.530000000000001 111.132 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.468 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.7 Cg_endo -69.76 -3.54 12.21 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.713 2.276 . . . . 74.109999999999999 112.352 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.7 p -122.76 -7.42 8.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 52.039999999999999 111.153 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.3 mmm-85 -146.61 140.26 25.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 50.340000000000003 110.897 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.5 ptp -143.53 171.74 13.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 75.420000000000002 110.868 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.0 mtpp -134.92 140.43 45.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 74.109999999999999 110.871 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.641 HG11 ' HA ' ' A' ' 13' ' ' ASN . 9.3 p -132.98 147.08 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 65.310000000000002 111.163 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 p -143.0 129.31 19.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 63.450000000000003 110.85 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.578 ' HE2' HG22 ' A' ' 41' ' ' VAL . 8.9 mtmt -135.88 140.75 44.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 74.420000000000002 110.912 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.437 ' HA ' HG22 ' A' ' 6' ' ' VAL . 33.8 p -163.95 175.03 10.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 63.130000000000003 110.803 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.706 ' HB3' HG11 ' A' ' 24' ' ' VAL . 1.7 m -95.71 125.54 40.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.058 -0.519 . . . . 64.409999999999997 110.86 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.553 ' O ' HG13 ' A' ' 24' ' ' VAL . 32.6 m -135.4 152.22 76.19 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.623 0.725 . . . . 63.219999999999999 111.077 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -46.4 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.697 2.265 . . . . 73.010000000000005 112.348 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -134.77 120.61 19.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 71.530000000000001 110.845 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 23.0 t -120.13 120.74 37.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 55.25 110.888 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -97.59 137.92 35.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 72.310000000000002 110.922 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -72.99 154.22 40.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 75.200000000000003 110.868 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.5 m -74.36 148.28 41.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 41.200000000000003 111.142 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.402 ' O ' HG23 ' A' ' 53' ' ' VAL . 6.9 m -135.96 112.66 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 74.340000000000003 111.133 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -162.15 152.2 16.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 74.049999999999997 110.889 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -165.56 86.73 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 55.140000000000001 110.869 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -163.35 -81.24 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 75.019999999999996 112.475 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -135.55 -54.44 0.78 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.86 0.362 . . . . 54.439999999999998 110.909 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.93 57.04 3.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 72.439999999999998 110.884 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -95.34 -8.77 34.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 73.25 110.917 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 34.7 p-80 -106.07 33.26 3.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 72.109999999999999 110.862 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.59 -81.06 0.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 71.430000000000007 111.121 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 61.5 m -135.42 134.84 40.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 61.130000000000003 110.869 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 29.9 m -112.15 117.49 32.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 63.240000000000002 111.164 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.2 m -94.83 107.12 19.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 71.230000000000004 111.169 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 60.3 m -97.39 135.33 39.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 71.400000000000006 110.856 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.3 m -127.76 137.07 52.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 61.509999999999998 110.91 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.1 p -150.62 177.25 10.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 74.25 110.886 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -132.65 12.25 4.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 52.020000000000003 110.898 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.453 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 19.1 t80 -96.51 146.4 24.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 75.310000000000002 110.904 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -58.02 131.28 49.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 72.219999999999999 110.896 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.9 mt 49.74 32.23 5.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 65.219999999999999 110.947 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.453 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 30.5 p -66.34 -26.03 67.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 71.439999999999998 110.863 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 46.2 p-10 -94.5 26.32 3.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 75.519999999999996 110.889 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.75 . . . . 61.109999999999999 112.478 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.3 ptm . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.801 0.334 . . . . 75.439999999999998 110.888 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.416 HD22 ' HG3' ' A' ' 68' ' ' GLN . 54.3 tp -154.2 151.81 29.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 73.340000000000003 110.926 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -110.07 130.73 55.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 62.539999999999999 110.884 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 14.3 m -140.12 163.0 33.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 73.219999999999999 110.895 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -83.23 113.91 21.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 72.349999999999994 110.833 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.457 HG22 ' HA ' ' A' ' 44' ' ' SER . 60.2 t -109.49 104.03 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 64.430000000000007 111.167 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.1 p -176.68 169.96 2.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 72.209999999999994 110.855 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -143.65 132.29 22.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 52.119999999999997 111.087 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -144.11 152.87 41.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 73.530000000000001 110.905 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -95.62 64.69 2.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.074 -0.512 . . . . 63.119999999999997 110.912 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.81 -130.35 1.11 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 53.0 112.52 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -74.89 -76.71 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.342 . . . . 74.409999999999997 110.864 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.623 ' HA ' HG11 ' A' ' 41' ' ' VAL . 21.8 m-80 -162.83 122.77 2.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 75.200000000000003 110.884 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.6 p -77.05 164.03 26.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 65.129999999999995 110.896 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -127.49 118.4 23.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 74.209999999999994 110.874 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.404 ' HA ' ' HD2' ' A' ' 17' ' ' PRO . 37.3 t-20 -162.61 88.25 1.37 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.577 0.703 . . . . 74.340000000000003 110.913 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 16' ' ' ASN . 53.9 Cg_endo -69.71 118.1 5.48 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.661 2.241 . . . . 74.319999999999993 112.364 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -131.58 126.97 36.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 64.420000000000002 110.922 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -72.61 123.84 24.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 75.329999999999998 110.846 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.48 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 5.4 m -71.56 157.24 90.26 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.632 0.73 . . . . 75.109999999999999 110.906 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.48 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.3 Cg_endo -69.81 -171.82 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.706 2.271 . . . . 65.319999999999993 112.336 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.57 35.38 0.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 71.099999999999994 111.088 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.429 ' HG3' HG23 ' A' ' 24' ' ' VAL . 6.5 ptp -136.05 -29.36 1.01 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 73.349999999999994 110.871 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.691 HG11 ' HB3' ' A' ' 45' ' ' CYS . 72.5 t -92.94 146.0 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 41.530000000000001 111.162 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -147.36 42.49 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 65.140000000000001 111.107 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.401 ' CE2' ' HB3' ' A' ' 66' ' ' CYS . 0.7 OUTLIER -170.84 154.41 4.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 74.120000000000005 110.916 -179.876 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.1 m -111.73 137.26 49.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 64.340000000000003 110.878 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.7 ttt -120.87 137.54 54.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 41.219999999999999 110.899 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.479 HG23 ' HG2' ' A' ' 43' ' ' LYS . 47.3 m -141.81 113.26 7.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.27 -0.423 . . . . 74.340000000000003 111.149 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.3 m -102.57 97.55 7.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 61.229999999999997 111.116 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -95.73 96.14 8.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 73.209999999999994 110.879 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 87.0 m -96.02 131.21 42.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 73.129999999999995 111.168 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -135.04 109.87 8.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 71.140000000000001 110.951 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -89.12 -51.33 5.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 72.129999999999995 110.94 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.571 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -135.32 162.98 54.15 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.557 0.694 . . . . 63.310000000000002 111.124 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.571 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.9 Cg_endo -69.74 -1.92 9.27 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.69 2.26 . . . . 74.099999999999994 112.351 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.5 p -122.23 -3.76 8.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.444 . . . . 54.340000000000003 111.149 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.8 mmt-85 -146.97 114.77 6.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 71.400000000000006 110.86 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.67 168.75 19.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 61.520000000000003 110.898 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.51 144.64 21.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.423 . . . . 75.209999999999994 110.9 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.623 HG11 ' HA ' ' A' ' 13' ' ' ASN . 14.9 p -134.61 151.33 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 63.409999999999997 111.127 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 p -145.8 133.6 21.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 65.319999999999993 110.85 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.479 ' HG2' HG23 ' A' ' 29' ' ' THR . 20.2 mttm -135.77 141.61 44.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.129 -0.487 . . . . 74.409999999999997 110.902 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.457 ' HA ' HG22 ' A' ' 6' ' ' VAL . 1.4 p -166.43 174.57 8.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 64.019999999999996 110.86 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.691 ' HB3' HG11 ' A' ' 24' ' ' VAL . 17.6 m -93.6 132.7 37.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 34.009999999999998 110.897 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.408 ' C ' HG13 ' A' ' 24' ' ' VAL . 33.1 m -146.3 153.49 48.38 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.645 0.736 . . . . 74.319999999999993 111.119 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -45.29 1.63 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.708 2.272 . . . . 63.229999999999997 112.344 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.5 mtp85 -135.04 109.28 8.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 72.109999999999999 110.829 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.3 t -85.25 142.42 29.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 55.200000000000003 110.879 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -103.62 109.22 20.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 61.43 110.873 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -64.11 170.47 3.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 74.510000000000005 110.947 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 52' ' ' THR . 3.4 t -72.68 110.03 6.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 72.219999999999999 111.122 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 99.5 t -150.81 138.37 13.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 72.109999999999999 111.14 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -144.29 176.04 9.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.47 . . . . 74.549999999999997 110.926 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -147.49 35.93 0.88 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.131 -0.486 . . . . 65.420000000000002 110.861 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -105.45 -80.85 1.4 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.738 . . . . 72.420000000000002 112.485 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -146.2 -75.64 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.88 0.371 . . . . 73.140000000000001 110.924 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.3 t -163.38 115.2 1.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 53.240000000000002 110.864 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.1 91.78 1.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 73.530000000000001 110.911 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 33.1 p80 -104.71 29.96 5.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 64.409999999999997 110.898 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.46 6.83 28.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 51.439999999999998 111.089 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.1 m -156.01 124.01 5.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 71.310000000000002 110.875 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -127.4 137.44 52.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 73.209999999999994 111.144 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.0 m -114.78 123.58 49.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 61.030000000000001 111.123 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.0 m -105.46 124.38 49.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 65.109999999999999 110.867 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.401 ' HB3' ' CE2' ' A' ' 26' ' ' TYR . 2.1 m -122.37 149.22 44.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 71.030000000000001 110.89 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -165.5 173.26 11.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 73.349999999999994 110.918 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.416 ' HG3' HD22 ' A' ' 2' ' ' LEU . 25.6 tt0 -126.82 13.84 7.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 73.439999999999998 110.918 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.468 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 16.6 t80 -95.9 145.94 24.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 62.32 110.918 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -55.77 130.52 43.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 54.43 110.879 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.5 mt 48.16 32.91 3.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 71.209999999999994 110.963 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.468 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 31.6 p -66.23 -29.27 69.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 74.150000000000006 110.896 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 47.3 p-10 -92.46 27.47 2.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 52.240000000000002 110.835 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.775 -0.726 . . . . 72.150000000000006 112.486 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 mtt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.843 0.354 . . . . 65.5 110.876 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 27.9 tp -95.69 149.51 21.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 73.219999999999999 110.91 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.02 130.39 55.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 72.510000000000005 110.865 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.7 m -141.66 164.62 29.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 73.549999999999997 110.83 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -84.4 109.49 17.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 70.430000000000007 110.887 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.8 t -106.78 107.59 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 74.200000000000003 111.085 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 24.6 p -176.49 173.93 1.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 53.240000000000002 110.894 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.12 128.29 13.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 73.510000000000005 111.102 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -144.33 147.72 33.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 75.409999999999997 110.898 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.422 ' HA ' ' HA ' ' A' ' 40' ' ' LYS . 1.5 m-80 -94.04 66.09 3.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.519 . . . . 73.439999999999998 110.906 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.61 -136.91 2.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.732 -0.747 . . . . 64.109999999999999 112.492 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -64.73 -77.23 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.84 0.352 . . . . 74.239999999999995 110.84 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.734 ' HA ' HG11 ' A' ' 41' ' ' VAL . 45.6 m-80 -162.34 124.19 2.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 74.340000000000003 110.929 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.1 p -76.49 157.69 31.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 63.450000000000003 110.915 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -130.34 118.56 21.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 75.140000000000001 110.874 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -162.64 83.89 1.54 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.631 0.729 . . . . 73.519999999999996 110.896 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 113.28 3.33 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.62 2.214 . . . . 73.040000000000006 112.333 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.5 tpt -133.1 139.01 46.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 72.109999999999999 110.908 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.0 tpp180 -73.91 135.18 43.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 74.319999999999993 110.895 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.511 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 4.4 m -77.02 158.03 80.64 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.626 0.727 . . . . 74.219999999999999 110.907 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.511 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 54.0 Cg_endo -69.75 177.51 5.5 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.634 2.223 . . . . 65.340000000000003 112.38 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.0 51.72 1.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 73.340000000000003 111.084 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 17.0 ptm -157.3 -39.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 74.25 110.889 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.687 HG11 ' HB3' ' A' ' 45' ' ' CYS . 24.4 t -79.62 143.23 12.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 71.439999999999998 111.149 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.23 32.07 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 54.32 111.136 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -160.71 149.07 16.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 63.420000000000002 110.956 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.0 m -104.7 129.68 52.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 65.239999999999995 110.873 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.4 ttp -108.86 136.72 47.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 43.310000000000002 110.884 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 64' ' ' THR . 92.2 m -139.04 123.07 17.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 75.400000000000006 111.146 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.2 m -120.98 100.92 7.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 54.340000000000003 111.183 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 -98.51 99.73 10.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 71.409999999999997 110.897 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -92.03 152.83 19.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 71.209999999999994 111.129 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -133.81 107.64 8.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 63.109999999999999 110.918 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -84.98 -65.4 1.01 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 74.510000000000005 110.96 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.565 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -122.52 161.83 41.48 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.593 0.711 . . . . 73.430000000000007 111.153 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.565 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.7 Cg_endo -69.8 -3.24 11.65 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.666 2.244 . . . . 70.030000000000001 112.342 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.05 -7.13 9.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 55.219999999999999 111.155 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.7 mtt180 -146.79 135.21 21.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 74.239999999999995 110.893 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.7 172.74 12.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 72.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 10' ' ' ASN . 7.8 ttpp -144.6 153.05 41.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 64.109999999999999 110.906 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.734 HG11 ' HA ' ' A' ' 13' ' ' ASN . 13.0 p -143.05 152.11 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 60.149999999999999 111.098 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.3 p -147.99 127.82 13.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 64.519999999999996 110.882 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -134.19 146.0 49.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.478 . . . . 72.25 110.894 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.3 p -165.76 169.75 14.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 55.119999999999997 110.8 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.687 ' HB3' HG11 ' A' ' 24' ' ' VAL . 2.1 m -93.3 122.33 35.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 73.209999999999994 110.909 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.566 ' O ' HG13 ' A' ' 24' ' ' VAL . 33.2 m -131.94 152.3 80.01 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.604 0.716 . . . . 73.219999999999999 111.178 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -41.63 4.15 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.673 2.248 . . . . 51.340000000000003 112.319 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.1 mtp-105 -134.24 124.66 26.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 75.349999999999994 110.899 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 53.3 t -130.86 144.5 51.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 41.32 110.92 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -137.79 156.43 47.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 75.409999999999997 110.888 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -64.82 155.73 33.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 75.430000000000007 110.866 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.564 HG23 ' HB ' ' A' ' 64' ' ' THR . 0.7 OUTLIER -74.67 119.02 18.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 75.140000000000001 111.121 -179.894 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 62.6 t -105.1 144.81 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 64.310000000000002 111.123 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -160.09 176.0 12.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 64.319999999999993 110.935 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -155.68 70.2 0.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 72.340000000000003 110.849 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.17 60.82 1.98 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.728 -0.748 . . . . 65.299999999999997 112.464 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -150.37 -40.81 0.13 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.945 0.402 . . . . 74.530000000000001 110.946 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.723 ' HB3' ' HB3' ' A' ' 61' ' ' ALA . 0.7 OUTLIER -157.76 101.1 1.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 63.009999999999998 110.828 -179.857 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -75.52 -81.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 75.329999999999998 110.88 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -100.91 29.06 4.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 74.540000000000006 110.843 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.723 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -86.79 -34.03 19.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 64.400000000000006 111.131 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 89.9 p -155.94 130.78 9.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 52.140000000000001 110.845 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.63 118.18 15.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.498 . . . . 54.350000000000001 111.133 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.564 ' HB ' HG23 ' A' ' 52' ' ' THR . 38.3 m -103.89 137.84 41.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 75.310000000000002 111.141 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.1 t -124.64 154.73 40.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 64.450000000000003 110.839 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 6.1 m -137.17 147.15 45.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 74.209999999999994 110.883 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.4 p -156.06 171.8 19.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 74.109999999999999 110.904 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -128.75 13.44 6.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 64.439999999999998 110.928 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.429 ' HB3' ' HB3' ' A' ' 72' ' ' CYS . 19.7 t80 -96.25 146.37 24.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 72.140000000000001 110.92 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -56.2 130.85 46.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 74.540000000000006 110.912 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 30.8 mt 48.35 34.11 4.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 63.310000000000002 110.912 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 28.7 p -65.51 -29.76 70.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 33.420000000000002 110.887 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 51.1 p-10 -93.48 25.46 3.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 65.129999999999995 110.911 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 72.340000000000003 112.48 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.851 0.358 . . . . 73.129999999999995 110.858 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 30.6 tp -93.35 149.73 21.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 51.310000000000002 110.909 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -107.69 131.2 54.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 44.399999999999999 110.901 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.6 m -145.71 157.92 43.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 72.349999999999994 110.925 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -82.98 104.33 13.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 71.430000000000007 110.845 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 51.1 t -99.49 106.67 19.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 51.539999999999999 111.128 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.9 p -174.9 164.88 3.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 73.230000000000004 110.91 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -141.62 128.01 19.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 62.509999999999998 111.093 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -144.79 146.97 32.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 75.0 110.922 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -87.63 65.3 8.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 74.030000000000001 110.896 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.39 -143.91 3.85 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 75.409999999999997 112.479 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -60.96 -76.4 0.05 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.817 0.341 . . . . 72.019999999999996 110.848 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.756 ' HA ' HG11 ' A' ' 41' ' ' VAL . 2.4 p30 -167.69 118.6 0.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 74.230000000000004 110.848 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.7 p -76.68 150.68 36.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 74.420000000000002 110.9 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -114.36 120.72 41.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 73.430000000000007 110.87 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -163.03 86.01 1.37 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.59 0.71 . . . . 74.310000000000002 110.896 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 115.2 3.98 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.739 2.293 . . . . 64.420000000000002 112.358 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.2 ttm -126.43 141.17 51.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 51.229999999999997 110.903 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -75.89 127.94 34.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 71.340000000000003 110.881 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.472 ' HB3' ' HB ' ' A' ' 24' ' ' VAL . 20.2 m -78.16 155.92 79.44 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.616 0.722 . . . . 63.109999999999999 110.854 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.462 ' HD2' ' HB3' ' A' ' 20' ' ' CYS . 53.6 Cg_endo -69.81 -169.43 0.33 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.693 2.262 . . . . 62.310000000000002 112.312 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.68 27.41 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 62.399999999999999 111.104 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -130.13 -21.6 2.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 75.239999999999995 110.93 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.615 HG11 ' HB3' ' A' ' 45' ' ' CYS . 14.8 t -95.32 140.9 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 74.420000000000002 111.139 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -138.9 9.4 2.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 74.239999999999995 111.1 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -147.04 155.07 41.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.262 -0.426 . . . . 63.039999999999999 110.93 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.8 m -104.91 142.29 35.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 60.030000000000001 110.906 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 21.8 ttm -117.09 142.38 47.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 74.319999999999993 110.859 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 87.8 m -145.6 104.34 3.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 72.129999999999995 111.132 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.0 m -101.9 99.43 9.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 72.019999999999996 111.129 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -97.94 101.16 12.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 73.519999999999996 110.9 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.7 m -88.71 156.32 19.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 45.420000000000002 111.14 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -133.86 102.62 5.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 74.450000000000003 110.923 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -84.83 -66.4 0.9 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 64.310000000000002 110.93 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.534 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -117.9 161.05 36.29 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.579 0.704 . . . . 75.230000000000004 111.104 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.534 ' HD2' ' HB ' ' A' ' 35' ' ' THR . 53.5 Cg_endo -69.74 -4.98 15.1 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.716 2.277 . . . . 73.019999999999996 112.342 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.4 p -122.94 -4.1 8.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 73.519999999999996 111.135 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -145.11 133.44 21.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 75.319999999999993 110.887 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 8.8 ptm -138.85 176.09 9.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 72.239999999999995 110.863 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -145.32 151.24 38.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 74.329999999999998 110.874 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.756 HG11 ' HA ' ' A' ' 13' ' ' ASN . 11.8 p -136.83 153.05 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 75.200000000000003 111.136 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.39 112.86 4.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 75.540000000000006 110.876 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.449 ' HE2' HG21 ' A' ' 41' ' ' VAL . 21.0 mttm -121.54 147.52 45.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 75.340000000000003 110.879 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 62.1 p -164.95 178.88 6.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 73.540000000000006 110.862 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.615 ' HB3' HG11 ' A' ' 24' ' ' VAL . 21.4 m -99.28 133.07 44.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 74.230000000000004 110.9 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.525 ' O ' HG13 ' A' ' 24' ' ' VAL . 34.9 m -148.49 152.14 37.78 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.64 0.733 . . . . 75.030000000000001 111.149 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -47.29 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.645 2.23 . . . . 75.239999999999995 112.373 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 31.8 mtm180 -134.44 119.49 18.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 74.120000000000005 110.881 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 15.8 t -118.86 137.89 53.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 75.430000000000007 110.877 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -120.94 148.8 43.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 74.540000000000006 110.846 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.65 158.54 24.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 71.310000000000002 110.902 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.553 HG23 ' OG1' ' A' ' 64' ' ' THR . 0.7 OUTLIER -74.93 124.7 27.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 55.399999999999999 111.175 -179.892 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.2 p -102.92 144.82 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 74.430000000000007 111.124 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -160.1 159.33 31.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 73.129999999999995 110.924 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -165.21 81.78 0.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 62.229999999999997 110.867 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -164.02 -87.56 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.728 -0.748 . . . . 74.209999999999994 112.458 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -134.71 -75.97 0.46 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.924 0.392 . . . . 72.230000000000004 110.871 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.5 m -74.82 94.07 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 65.420000000000002 110.859 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -95.28 -8.92 34.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.497 . . . . 71.209999999999994 110.899 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 25.2 p-80 -107.14 29.01 7.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 62.439999999999998 110.884 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.35 -23.76 24.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 74.450000000000003 111.072 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.5 p -156.26 133.96 11.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 70.200000000000003 110.866 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.2 m -131.39 104.48 7.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 75.510000000000005 111.136 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.553 ' OG1' HG23 ' A' ' 52' ' ' THR . 80.6 m -94.15 109.75 21.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 71.409999999999997 111.163 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.9 t -95.96 146.07 24.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 62.329999999999998 110.84 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.2 m -135.37 141.29 45.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.509 . . . . 72.409999999999997 110.875 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -149.0 179.68 7.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 71.510000000000005 110.902 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -134.37 8.81 3.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 55.0 110.923 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -96.09 147.24 23.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 74.219999999999999 110.891 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -59.3 133.52 56.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 74.530000000000001 110.844 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 29.0 mt 49.14 32.58 4.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 73.010000000000005 110.868 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.7 p -65.59 -29.78 70.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 72.109999999999999 110.912 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.5 p-10 -93.96 25.56 3.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 74.010000000000005 110.866 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.725 -0.75 . . . . 51.049999999999997 112.467 179.973 . . . . . . . . 0 0 . 1 stop_ save_