data_2d8m_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 2d8m _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 ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.889 0.376 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.408 ' CD2' ' CD2' ' A' ' 93' ' ' HIS . 4.9 mp -67.56 -40.12 84.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.83 -18.14 38.26 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.437 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.2 mmtt -90.17 0.03 57.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.777 0.323 . . . . 0.0 110.944 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.8 mt -83.84 -56.23 5.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.45 HD21 ' CZ2' ' A' ' 88' ' ' TRP . 28.3 mt -105.31 33.37 3.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.917 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -61.81 108.56 1.03 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.52 21.68 12.47 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.41 ' CG1' ' N ' ' A' ' 27' ' ' VAL . 78.9 t -118.68 155.51 20.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.868 0.366 . . . . 0.0 111.091 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.41 ' N ' ' CG1' ' A' ' 26' ' ' VAL . 7.2 t -131.77 114.71 25.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.3 m -104.37 142.14 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.4 t -118.69 126.93 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.471 HD13 ' CE1' ' A' ' 52' ' ' TYR . 68.5 mt -83.3 127.45 33.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.0 m -141.08 124.17 16.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.26 46.32 34.96 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.401 ' CD2' HD21 ' A' ' 30' ' ' LEU . 64.1 m-85 -128.33 140.0 52.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.89 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -130.21 132.14 45.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.497 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -57.48 160.67 6.92 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.589 0.709 . . . . 0.0 110.912 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.8 Cg_endo -69.75 -17.24 12.02 Favored 'Cis proline' 0 C--O 1.231 0.169 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.35 -0.059 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -50.23 -50.7 48.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -51.15 -43.97 61.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.7 m -67.64 -51.39 50.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -54.12 -49.75 68.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.0 tp -55.86 -51.57 67.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -50.84 -61.63 2.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -41.19 -61.49 1.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -45.27 -48.55 12.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.8 -37.85 71.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 68.2 mt -66.47 -43.94 84.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -52.53 -52.57 54.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.9 mt -53.88 -19.34 4.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.48 22.45 19.01 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.501 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.5 150.66 20.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.887 0.375 . . . . 0.0 111.087 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -85.39 132.83 34.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.471 ' CE1' HD13 ' A' ' 30' ' ' LEU . 3.6 t80 -106.11 112.32 25.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 -106.65 143.88 27.91 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.599 0.714 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -9.74 26.85 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.4 ' CG ' ' N ' ' A' ' 56' ' ' TRP . 2.0 t70 -163.62 163.84 24.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.535 ' CH2' HG13 ' A' ' 76' ' ' VAL . 64.9 t-105 -56.44 121.4 9.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.7 p -114.73 162.14 17.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.192 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -65.25 -15.8 62.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.827 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -97.88 -3.73 38.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.5 m -65.92 127.3 31.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 48.8 p -103.96 -35.2 8.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 59.5 m80 -134.12 149.64 51.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.6 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.418 HD21 ' CG2' ' A' ' 76' ' ' VAL . 18.9 tp -118.52 127.55 53.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.405 HD12 ' CG2' ' A' ' 89' ' ' VAL . 25.9 mm -94.5 105.4 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 42.4 t -104.76 145.04 30.91 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.485 ' HB1' ' CD2' ' A' ' 67' ' ' PHE . . . -90.34 -26.51 19.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.089 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.485 ' CD2' ' HB1' ' A' ' 66' ' ' ALA . 1.5 p90 -168.59 147.45 4.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.44 -177.04 0.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 43.6 m-20 62.83 34.36 14.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -110.84 159.66 31.64 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.591 0.71 . . . . 0.0 111.128 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -39.72 6.17 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.715 2.277 . . . . 0.0 112.322 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -76.2 -10.66 59.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.441 ' CZ ' HD13 ' A' ' 77' ' ' LEU . 19.1 t80 -75.53 -57.51 3.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.0 t -63.81 -36.27 83.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.849 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -54.4 -60.01 3.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.535 HG13 ' CH2' ' A' ' 56' ' ' TRP . 39.6 t -69.58 -14.99 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.121 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.441 HD13 ' CZ ' ' A' ' 73' ' ' TYR . 6.3 tt -71.8 -50.65 27.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.83 -32.95 78.71 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.674 -0.775 . . . . 0.0 112.506 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 39.7 mt -61.36 -47.88 83.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.832 0.349 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 123.42 14.16 4.07 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -78.84 155.82 41.45 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.492 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -79.53 100.55 7.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.789 0.328 . . . . 0.0 110.898 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 44.9 mt -88.59 114.91 27.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 12.2 m -127.41 174.04 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.142 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -91.47 170.42 9.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 43.7 pttt -71.07 -33.25 70.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -43.42 -27.03 0.23 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.45 ' CZ2' HD21 ' A' ' 23' ' ' LEU . 28.3 t90 -64.62 -46.75 81.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.405 ' CG2' HD12 ' A' ' 64' ' ' ILE . 60.0 t -72.03 -46.98 57.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.093 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 62.0 mt -54.77 -47.87 73.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.421 ' HB3' ' CD1' ' A' ' 99' ' ' LEU . 1.2 m-20 -68.27 -38.17 81.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 96' ' ' ARG . 6.1 m -60.83 -49.5 77.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.408 ' CD2' ' CD2' ' A' ' 19' ' ' LEU . 48.8 t-80 -69.44 -53.6 18.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.628 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -49.23 -41.9 38.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 6.0 mtm -98.84 -4.19 33.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 92' ' ' CYS . 28.8 mtm180 43.17 43.9 4.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -141.62 163.04 34.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 25.9 ttt-85 -82.61 116.07 21.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.421 ' CD1' ' HB3' ' A' ' 91' ' ' ASP . 45.1 mt -109.5 148.57 38.37 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.582 0.706 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 112.87 3.19 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.246 . . . . 0.0 112.329 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.6 m -67.13 -22.64 65.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.833 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -54.13 -40.52 67.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -67.72 -21.69 65.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -108.44 24.93 12.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.962 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 8.6 mt -69.89 124.3 23.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 6.2 mtp . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.851 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.882 0.372 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.401 ' HB3' ' C ' ' A' ' 47' ' ' GLU . 4.4 mm? -80.21 -46.61 16.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.94 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.57 -9.97 10.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.2 mmtm -96.95 2.11 51.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.753 0.311 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.3 mt -93.29 -58.81 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.9 mt -104.87 41.49 1.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -67.73 107.45 2.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.78 26.65 11.38 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.2 t -120.12 135.54 60.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.916 0.388 . . . . 0.0 111.149 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.0 t -113.3 113.07 42.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.2 m -102.69 150.93 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 51.5 t -126.73 125.79 67.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.1 mt -87.44 124.42 33.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.3 t -145.5 145.12 30.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 54.68 53.65 37.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.494 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.445 ' CZ ' HG21 ' A' ' 64' ' ' ILE . 41.6 m-85 -127.4 166.35 18.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.885 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -109.51 179.31 4.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.492 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.6 OUTLIER -133.3 160.72 67.51 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.667 0.746 . . . . 0.0 110.867 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 54.1 Cg_endo -69.77 -2.42 7.15 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.377 -0.061 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.474 ' N ' ' HA ' ' A' ' 35' ' ' ASN . 23.0 t80 -33.22 -46.47 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -41.91 -56.98 2.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.5 t -53.9 -54.74 34.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -47.5 -48.08 27.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 30.7 tp -65.47 -40.53 93.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.949 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.3 ttp180 -60.54 -58.97 6.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -41.99 -55.61 3.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 52.6 mttt -52.1 -47.46 65.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.45 -31.25 71.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.2 mt -69.82 -48.72 57.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.401 ' C ' ' HB3' ' A' ' 19' ' ' LEU . 12.5 mm-40 -54.96 -46.02 74.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.3 mt -57.14 -14.41 3.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.27 30.19 12.94 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.456 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.91 151.24 25.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.342 . . . . 0.0 111.102 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.1 mttm -89.72 135.22 33.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -104.4 111.21 23.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -103.83 143.47 26.71 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.579 0.704 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -12.39 32.83 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.654 2.236 . . . . 0.0 112.367 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -163.42 164.2 24.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.524 ' CZ3' ' HB3' ' A' ' 60' ' ' SER . 41.0 t-105 -61.09 127.2 30.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.2 p -124.67 -177.9 3.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.5 ptt85 -78.42 -5.5 52.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -105.85 -13.1 15.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.524 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 1.8 m -65.4 129.98 41.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 67.8 p -103.99 -44.46 5.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -123.85 152.96 41.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 1.147 . . . . 0.0 109.585 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.435 ' HB2' ' CZ3' ' A' ' 56' ' ' TRP . 7.1 tp -120.51 113.91 20.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.445 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 27.5 mm -80.9 111.85 18.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.082 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 8.3 t -113.71 151.95 31.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.53 -28.75 21.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.524 ' CD1' ' N ' ' A' ' 67' ' ' PHE . 0.0 OUTLIER -170.36 170.11 7.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -83.21 -176.41 6.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.6 m120 64.45 33.36 11.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -114.84 160.4 33.68 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.555 0.693 . . . . 0.0 111.16 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 -48.15 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.671 2.248 . . . . 0.0 112.394 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.9 mmtm -70.33 -14.16 62.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -72.48 -46.01 56.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.7 t -84.37 -26.91 28.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -58.77 -41.89 87.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 38.5 t -86.34 -14.86 10.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.6 tp -72.23 -40.89 67.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.67 -28.99 70.07 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.485 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 70.6 mt -70.71 -52.21 22.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.87 0.367 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 128.6 24.86 1.08 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.514 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -86.17 167.18 39.34 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -87.27 96.18 10.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.788 0.328 . . . . 0.0 110.898 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 28.1 mt -86.61 111.31 21.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.089 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 11.2 m -131.39 167.96 25.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 80.6 mtt180 -81.29 177.06 9.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 88' ' ' TRP . 6.0 ptmm? -75.75 -39.96 56.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 86' ' ' LYS . 5.5 mm-40 -35.93 -32.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.467 ' N ' ' O ' ' A' ' 86' ' ' LYS . 23.2 t90 -55.75 -58.28 8.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 62.8 t -62.63 -53.59 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 53.5 mt -49.89 -60.67 2.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -55.74 -45.64 77.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 4.3 m -54.06 -47.55 71.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -67.01 -55.38 14.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.646 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -44.78 -51.95 8.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 8.7 mtm -86.38 -8.81 57.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.9 mtm-85 50.33 40.76 23.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.83 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -140.43 162.48 35.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 26.7 ttt-85 -81.48 118.53 22.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 65.2 mt -107.87 148.91 38.31 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.585 0.707 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 101.38 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.359 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 99.7 p -63.69 -9.57 14.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -71.2 -11.0 60.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 38.0 mtt180 -95.63 -18.83 20.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -99.7 -1.51 37.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 26.7 mt -52.53 135.98 33.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.94 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.4 mtm . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 179.875 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.904 0.383 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -60.03 -52.75 64.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.33 -17.56 32.44 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -87.35 -9.5 54.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.786 0.327 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 30.4 mt -78.62 -59.11 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.9 mt -105.55 39.52 1.74 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -66.3 118.19 9.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.08 14.99 63.47 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.442 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.9 t -109.05 149.44 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.378 . . . . 0.0 111.099 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.8 t -127.73 128.24 69.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.2 m -116.35 162.18 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 81.4 t -140.96 131.85 27.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.1 mt -88.46 121.19 30.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.3 t -148.15 105.63 3.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.57 20.26 8.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.504 ' CE2' HG21 ' A' ' 64' ' ' ILE . 56.8 m-85 -119.13 159.37 24.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.851 0.358 . . . . 0.0 110.817 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -135.32 129.33 33.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.573 ' ND2' ' HE ' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -56.36 160.66 4.86 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.671 0.748 . . . . 0.0 110.866 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 54.1 Cg_endo -69.73 -3.58 7.74 Favored 'Cis proline' 0 C--N 1.342 0.206 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.354 -0.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.446 ' N ' ' HA ' ' A' ' 35' ' ' ASN . 2.6 t80 -49.51 -60.68 2.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.573 ' HE ' ' ND2' ' A' ' 35' ' ' ASN . 21.3 ptt85 -52.31 -44.34 65.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.821 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.44 ' N ' ' CG ' ' A' ' 38' ' ' ARG . 1.3 t -60.98 -31.89 71.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.824 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -76.39 -49.54 16.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.1 mt -53.1 -46.79 68.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.6 ttp180 -56.07 -60.38 3.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -42.94 -57.59 2.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.482 ' HZ3' ' CE1' ' A' ' 93' ' ' HIS . 67.8 mttm -59.84 -43.76 94.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.0 -32.09 63.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 66.7 mt -68.89 -41.3 78.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -54.57 -51.87 63.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.9 mt -54.49 -16.22 2.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.41 30.34 12.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.484 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.72 152.8 22.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.839 0.352 . . . . 0.0 111.115 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.02 141.29 28.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -112.09 109.26 18.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -103.07 143.06 25.85 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.588 0.708 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -19.12 36.62 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.68 2.253 . . . . 0.0 112.327 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -153.4 154.5 34.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.427 ' CH2' HG13 ' A' ' 76' ' ' VAL . 74.8 t-105 -60.29 125.98 25.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.5 t -131.72 171.44 13.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.117 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -63.17 -10.17 14.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.832 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -96.74 -17.74 20.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.814 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.1 m -71.16 123.34 21.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.432 ' OG1' ' ND1' ' A' ' 62' ' ' HIS . 20.6 p -95.6 -58.08 2.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.187 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.432 ' ND1' ' OG1' ' A' ' 61' ' ' THR . 34.8 m80 -109.88 141.85 42.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.587 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.5 tp -110.52 131.73 54.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.504 HG21 ' CE2' ' A' ' 33' ' ' PHE . 7.0 mm -96.97 107.21 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.089 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 6.1 t -111.13 151.26 28.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.486 ' HB1' ' CD2' ' A' ' 67' ' ' PHE . . . -87.38 -36.51 17.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.486 ' CD2' ' HB1' ' A' ' 66' ' ' ALA . 2.2 p90 -156.95 163.73 38.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.2 -178.1 4.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.157 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 61.75 46.01 7.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.846 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.9 158.84 48.96 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.548 0.69 . . . . 0.0 111.16 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -29.55 23.66 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.667 2.245 . . . . 0.0 112.362 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.42 -18.57 31.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.569 ' CE1' HD11 ' A' ' 77' ' ' LEU . 33.1 t80 -73.27 -52.51 13.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.7 m -60.5 -45.05 95.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -50.88 -68.81 0.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.427 HG13 ' CH2' ' A' ' 56' ' ' TRP . 42.3 t -55.89 -14.92 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.117 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.569 HD11 ' CE1' ' A' ' 73' ' ' TYR . 3.1 tt -71.19 -48.56 50.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -73.96 -38.87 47.78 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 22.4 mt -51.24 -54.31 27.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.954 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 129.98 21.93 1.18 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -87.65 169.7 39.39 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -98.63 97.06 8.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.809 0.338 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 19.4 mt -82.44 120.54 34.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 2.7 m -130.18 174.57 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -84.98 175.6 8.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.7 ptpt -73.31 -38.89 65.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -41.09 -32.7 0.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -46.34 -57.63 4.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.458 ' CG2' HD12 ' A' ' 64' ' ' ILE . 40.3 t -68.9 -63.22 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 89' ' ' VAL . 51.8 mt -37.33 -50.18 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 92' ' ' CYS . 30.5 m-20 -71.54 -65.17 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 91' ' ' ASP . 9.2 m -35.08 -36.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.482 ' CE1' ' HZ3' ' A' ' 44' ' ' LYS . 54.5 t-80 -79.1 -59.65 2.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.619 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -42.18 -54.99 3.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 33.4 mtm -82.23 -8.53 59.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 46.6 mtm180 50.41 43.89 26.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -143.9 158.5 43.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 14.7 ttt180 -83.09 118.07 23.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 67.5 mt -104.16 148.7 36.33 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.572 0.701 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 100.49 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.686 2.258 . . . . 0.0 112.342 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 m -57.09 -18.61 15.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.459 ' HA ' ' CD1' ' A' ' 105' ' ' LEU . 44.8 mt-30 -59.93 -13.19 9.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -93.9 -31.01 14.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -93.17 -2.24 55.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.459 ' CD1' ' HA ' ' A' ' 102' ' ' GLN . 18.1 mt -45.64 130.3 8.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 71.8 mtp . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.807 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.92 0.39 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.483 ' CD2' ' CD2' ' A' ' 93' ' ' HIS . 5.5 mp -70.39 -38.76 74.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.6 -15.54 26.07 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.462 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.422 ' NZ ' ' HA ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -94.7 5.28 52.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.762 0.315 . . . . 0.0 110.901 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 63.2 mt -89.21 -55.27 6.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.442 HD12 ' CD1' ' A' ' 48' ' ' LEU . 72.8 mt -111.76 42.61 1.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.898 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -64.91 107.79 1.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.65 28.86 7.68 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.8 t -119.94 147.64 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 0.0 111.129 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.9 t -124.91 120.8 59.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.7 m -112.58 146.25 17.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.102 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 67.6 t -125.85 121.45 59.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.135 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.414 HD12 ' CE1' ' A' ' 52' ' ' TYR . 88.4 mt -82.07 123.26 28.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.0 t -147.01 106.29 3.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.84 37.6 2.34 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.525 ' CE1' ' HB1' ' A' ' 66' ' ' ALA . 77.3 m-85 -130.42 161.2 31.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.792 0.329 . . . . 0.0 110.854 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -139.19 122.38 16.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.505 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 1.8 p30 -50.94 156.34 1.73 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.626 0.726 . . . . 0.0 110.921 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.5 Cg_endo -69.76 -24.71 8.42 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.332 -0.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' PRO . 7.5 t80 -37.03 -51.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -51.93 -49.64 62.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.8 t -62.73 -63.28 1.26 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -42.36 -49.87 5.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.81 -41.16 95.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.3 ttp180 -61.69 -43.49 98.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -52.69 -61.7 2.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -48.17 -45.3 33.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.83 -40.94 66.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 22.5 mt -68.31 -43.22 78.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.424 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 1.1 mp0 -53.31 -47.76 68.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.442 ' CD1' HD12 ' A' ' 23' ' ' LEU . 6.5 mt -60.91 -12.61 11.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.53 15.08 44.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.504 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.17 145.27 24.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.358 . . . . 0.0 111.07 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -87.2 133.71 33.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.414 ' CE1' HD12 ' A' ' 30' ' ' LEU . 4.0 t80 -102.73 113.28 26.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.2 mmt-85 -111.28 144.09 29.77 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.652 0.739 . . . . 0.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -34.55 14.51 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.668 2.245 . . . . 0.0 112.367 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.71 156.56 46.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.546 ' CH2' HG13 ' A' ' 76' ' ' VAL . 60.8 t-105 -53.68 107.59 0.27 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.401 ' N ' ' OG ' ' A' ' 60' ' ' SER . 5.8 p -94.97 166.87 11.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.105 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.4 ttt85 -61.47 -37.58 84.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -73.71 -15.68 61.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.529 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 70.8 m -42.89 120.67 1.84 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 73.9 p -110.05 -34.69 6.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.199 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.429 ' CD2' ' HB3' ' A' ' 82' ' ' ARG . 10.4 m80 -141.61 135.93 30.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.102 . . . . 0.0 109.578 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.459 HD23 ' CG2' ' A' ' 76' ' ' VAL . 14.3 tp -100.63 122.39 43.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.968 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.432 HD11 ' CG2' ' A' ' 89' ' ' VAL . 49.0 mm -87.31 93.36 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.161 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.7 t -95.86 163.85 12.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.525 ' HB1' ' CE1' ' A' ' 33' ' ' PHE . . . -110.01 -35.09 6.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' A' ' 67' ' ' PHE . 1.1 p90 -156.76 150.23 24.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.83 -179.89 1.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 46.9 m-20 65.92 29.59 10.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -105.45 156.23 36.69 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.627 0.727 . . . . 0.0 111.137 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -16.04 37.28 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.673 2.249 . . . . 0.0 112.305 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.7 tptt -97.38 -24.79 15.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -68.21 -37.92 81.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.7 t -84.62 -17.81 37.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -77.67 -46.03 23.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.546 HG13 ' CH2' ' A' ' 56' ' ' TRP . 39.9 t -75.95 -14.8 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.7 tp -74.47 -52.0 13.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.2 -34.56 74.12 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.461 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 25.3 mt -67.92 -62.49 1.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.356 . . . . 0.0 110.955 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 135.65 37.17 0.19 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.429 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -101.21 151.3 18.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.546 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.429 ' HB3' ' CD2' ' A' ' 62' ' ' HIS . 14.3 tpp180 -73.26 95.9 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.741 0.305 . . . . 0.0 110.854 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 18.2 mt -80.99 114.21 21.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 11.6 m -132.28 160.19 42.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -82.37 168.8 17.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 87' ' ' GLU . 25.9 pttm -62.67 -37.28 85.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 86' ' ' LYS . 29.7 mt-10 -36.23 -40.88 0.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 29.7 t90 -52.28 -56.22 16.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.925 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.432 ' CG2' HD11 ' A' ' 64' ' ' ILE . 89.2 t -63.31 -58.99 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 24.9 mt -43.0 -46.29 5.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.422 ' HB3' ' CD1' ' A' ' 99' ' ' LEU . 2.4 m-20 -71.31 -49.73 39.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 55.7 m -48.84 -45.32 40.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.483 ' CD2' ' CD2' ' A' ' 19' ' ' LEU . 59.2 t-80 -72.68 -58.13 3.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.615 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 35.4 ttt-85 -44.82 -33.0 1.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.847 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 9.1 mtm -104.16 -9.66 18.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 93' ' ' HIS . 15.4 mtm-85 49.45 45.94 23.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -150.06 175.08 12.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 23.8 mtm180 -89.0 127.58 35.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.422 ' CD1' ' HB3' ' A' ' 91' ' ' ASP . 66.0 mt -116.01 150.28 44.8 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.615 0.721 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 99.03 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.634 2.223 . . . . 0.0 112.35 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.3 m -53.34 -30.18 38.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.821 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.44 ' HA ' ' CD1' ' A' ' 105' ' ' LEU . 1.2 mp0 -48.5 -50.68 30.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 34.5 mtm180 -57.68 -20.07 31.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -112.75 38.05 2.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.44 ' CD1' ' HA ' ' A' ' 102' ' ' GLN . 14.1 mt -88.47 125.94 34.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.868 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 31.1 mtp . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.818 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.876 0.37 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.442 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 5.5 mp -83.75 -36.17 23.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.07 -9.89 24.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.461 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -104.36 7.71 35.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.442 ' CD1' ' HA ' ' A' ' 19' ' ' LEU . 88.1 mt -91.59 -59.07 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.1 mt -102.87 38.55 1.71 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -65.99 120.21 12.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.46 8.13 64.46 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.539 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 23.5 t -106.06 143.05 17.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.869 0.366 . . . . 0.0 111.152 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.3 t -124.57 117.12 49.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.173 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.2 m -106.93 163.79 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.7 t -136.5 126.27 39.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.151 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.6 mt -84.18 117.23 23.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.5 t -131.69 137.07 48.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 67.36 37.45 90.51 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.472 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.575 ' CE1' ' CD2' ' A' ' 41' ' ' LEU . 88.4 m-85 -120.19 141.45 49.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.843 0.354 . . . . 0.0 110.851 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -126.5 124.69 40.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.916 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.53 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 1.2 p30 -51.2 154.18 2.96 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.588 0.709 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 54.1 Cg_endo -69.68 -25.75 7.78 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.403 -0.161 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.448 ' C ' ' O ' ' A' ' 36' ' ' PRO . 6.3 t80 -34.67 -57.16 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -50.66 -42.16 56.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 36' ' ' PRO . 66.7 m -67.97 -57.87 5.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.839 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -50.36 -49.82 53.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.575 ' CD2' ' CE1' ' A' ' 33' ' ' PHE . 24.7 tp -57.49 -42.24 82.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -56.78 -60.09 4.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -44.03 -55.78 4.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.427 ' HG2' ' ND1' ' A' ' 93' ' ' HIS . 82.3 mttt -51.19 -45.31 61.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.12 -29.97 70.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.083 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.1 mt -72.84 -43.21 62.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -51.27 -51.85 50.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.0 mt -55.79 -18.05 7.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.96 20.67 25.38 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.455 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.69 151.01 20.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 111.088 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -92.44 124.52 36.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -94.61 112.88 24.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.4 mmp_? -106.61 143.74 27.63 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.617 0.722 . . . . 0.0 110.855 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -25.74 28.34 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.684 2.256 . . . . 0.0 112.32 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -140.42 155.99 46.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.519 ' CZ3' ' HB2' ' A' ' 63' ' ' LEU . 75.8 t-105 -62.44 89.4 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 t -83.55 158.53 21.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.9 ttm-85 -59.82 -13.49 10.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -89.56 -23.42 22.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.412 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 3.2 m -57.84 132.89 54.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 13.1 p -107.07 -38.94 5.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.114 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -126.14 141.62 51.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.578 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.519 ' HB2' ' CZ3' ' A' ' 56' ' ' TRP . 9.2 tp -110.76 133.67 53.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.422 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 33.1 mm -103.2 98.08 6.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 5.0 t -94.48 138.66 32.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.401 ' C ' ' CD1' ' A' ' 67' ' ' PHE . . . -69.76 -39.69 76.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 66' ' ' ALA . 0.8 OUTLIER -165.29 168.24 17.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.475 ' C ' ' CG ' ' A' ' 69' ' ' ASN . . . -68.27 -175.56 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.057 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.475 ' CG ' ' C ' ' A' ' 68' ' ' ALA . 0.2 OUTLIER 49.44 44.57 23.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.1 p -118.43 158.62 46.4 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.585 0.707 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -35.46 12.71 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.704 2.269 . . . . 0.0 112.354 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -81.49 -14.9 56.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -78.0 -41.26 36.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 t -90.49 -9.73 46.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.829 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -82.1 -36.29 27.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 43.3 t -90.07 -14.84 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.9 tp -71.5 -51.31 24.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.84 -36.2 89.21 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.515 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.9 mt -65.96 -42.07 90.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.868 0.366 . . . . 0.0 110.927 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 113.52 35.32 1.6 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.481 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -95.1 167.68 26.7 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -88.66 95.07 10.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.762 0.315 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 18.8 mt -86.85 114.69 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.7 m -132.07 147.8 32.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 41.2 mtt85 -60.72 170.82 1.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 88' ' ' TRP . 49.5 pttt -75.24 -35.03 61.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -38.65 -26.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.489 ' N ' ' O ' ' A' ' 86' ' ' LYS . 16.0 t90 -62.15 -60.35 3.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 93.1 t -59.21 -43.1 88.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.121 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.406 ' N ' HD23 ' A' ' 90' ' ' LEU . 4.1 mm? -53.24 -56.08 19.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 93' ' ' HIS . 7.3 m-20 -59.14 -63.05 1.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.447 ' C ' ' O ' ' A' ' 91' ' ' ASP . 81.6 m -34.57 -33.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.483 ' N ' ' O ' ' A' ' 91' ' ' ASP . 31.3 t-80 -87.16 -58.65 2.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.592 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -38.41 -44.08 0.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.448 ' CE ' ' HB3' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -99.1 -25.13 14.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.3 mtt85 70.89 35.61 1.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.1 ptp85 -131.93 165.52 23.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 24.6 ttt85 -83.03 123.23 29.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 26.0 mt -119.0 150.21 48.28 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.587 0.708 . . . . 0.0 110.946 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 129.49 17.71 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.716 2.278 . . . . 0.0 112.358 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.9 t -83.49 -12.45 56.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.461 ' HA ' ' CD1' ' A' ' 105' ' ' LEU . 17.9 pt20 -69.24 -26.07 64.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.948 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 38.4 mtp180 -80.6 -22.7 40.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -98.83 -5.18 31.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.461 ' CD1' ' HA ' ' A' ' 102' ' ' GLN . 14.4 mt -46.14 131.72 10.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.1 mtp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 179.867 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.945 0.402 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 47' ' ' GLU . 5.8 mp -81.91 -37.49 26.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.95 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.49 -26.03 51.1 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -84.62 4.91 30.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.756 0.312 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 41.9 mt -92.19 -58.31 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.153 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.4 mt -108.29 34.17 3.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -59.29 111.06 1.22 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.83 32.49 9.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.466 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.6 t -120.65 151.2 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 111.112 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.0 t -128.03 117.57 46.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.09 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.4 m -110.93 153.83 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.101 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.3 t -128.98 122.23 56.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.8 mt -82.16 123.41 28.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 m -140.93 132.57 27.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 74.85 31.22 58.41 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.502 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.653 ' CZ ' ' CD2' ' A' ' 41' ' ' LEU . 59.2 m-85 -112.27 161.02 17.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.789 0.328 . . . . 0.0 110.884 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.423 ' N ' ' HB2' ' A' ' 38' ' ' ARG . 9.4 tp60 -144.03 131.92 21.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.525 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -62.05 154.16 70.45 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.622 0.725 . . . . 0.0 110.891 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.9 Cg_endo -69.78 -30.91 4.88 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.649 -1.813 . . . . 0.0 112.389 -0.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' A' ' 36' ' ' PRO . 12.3 t80 -34.49 -58.73 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.423 ' HB2' ' N ' ' A' ' 34' ' ' GLN . 21.3 ttm180 -45.53 -49.46 13.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.4 t -64.03 -57.62 9.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -46.7 -53.71 11.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.653 ' CD2' ' CZ ' ' A' ' 33' ' ' PHE . 23.5 tp -46.54 -40.24 12.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.945 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.438 ' NE ' ' CD2' ' A' ' 52' ' ' TYR . 28.0 ttt180 -68.17 -49.29 61.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -43.21 -56.69 3.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.437 ' NZ ' ' ND1' ' A' ' 93' ' ' HIS . 29.9 mttm -60.79 -49.05 79.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.78 -33.37 16.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.102 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 51.4 mt -69.12 -42.09 76.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.456 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 36.3 mm-40 -55.35 -43.65 75.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.6 mt -62.82 -14.65 48.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.929 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.79 23.42 33.18 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.492 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.73 152.27 18.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.885 0.374 . . . . 0.0 111.084 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.422 ' N ' ' HE3' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -89.54 130.92 35.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.438 ' CD2' ' NE ' ' A' ' 42' ' ' ARG . 3.4 t80 -101.81 107.61 18.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -106.2 143.58 27.23 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.716 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -29.37 24.05 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.681 2.254 . . . . 0.0 112.358 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -140.41 160.53 39.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.521 ' CZ3' ' HB3' ' A' ' 60' ' ' SER . 62.2 t-105 -57.64 110.82 0.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 65.3 p -97.15 172.45 7.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -76.43 -2.24 31.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -111.53 -6.13 14.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.521 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 47.6 m -58.89 119.54 7.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 60.3 p -97.94 -33.34 11.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.171 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.431 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 21.6 m80 -137.45 147.41 45.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.582 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.2 tp -116.72 119.0 34.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.451 HD12 ' CG2' ' A' ' 89' ' ' VAL . 12.9 mm -86.07 92.16 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 52.4 t -93.76 144.3 25.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.02 -44.42 16.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.086 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -152.5 145.06 24.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.5 -175.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.057 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 63.29 28.66 15.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.23 160.01 27.69 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.632 0.729 . . . . 0.0 111.089 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -34.24 14.8 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.644 2.229 . . . . 0.0 112.31 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.49 -25.4 45.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.967 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -62.09 -54.62 38.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.3 t -65.55 -41.97 92.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.846 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -49.79 -48.28 50.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.7 t -80.75 -15.02 12.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 49.2 tp -73.8 -43.63 58.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.4 -36.55 78.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.548 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 30.2 mt -60.99 -46.81 89.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.877 0.37 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 117.18 42.07 0.66 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.513 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -101.73 166.54 18.18 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.516 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.431 ' HG2' ' CD2' ' A' ' 62' ' ' HIS . 3.5 tpt180 -84.9 94.79 8.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 110.871 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 57.9 mt -85.53 114.89 26.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.3 m -132.06 163.03 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.6 mtp85 -69.58 177.14 3.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.1 pttm -79.82 -29.79 40.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.414 ' O ' ' CG ' ' A' ' 91' ' ' ASP . 7.8 tt0 -50.67 -40.25 53.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 24.9 t90 -40.41 -33.07 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.451 ' CG2' HD12 ' A' ' 64' ' ' ILE . 92.4 t -88.53 -41.47 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 54.1 mt -61.36 -55.96 25.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 87' ' ' GLU . 0.7 OUTLIER -58.84 -47.95 83.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.821 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 96' ' ' ARG . 12.4 m -56.04 -52.11 65.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.437 ' ND1' ' NZ ' ' A' ' 44' ' ' LYS . 46.4 t-80 -60.03 -55.26 36.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.653 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -46.97 -52.38 14.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 11.3 mtm -84.21 -4.81 59.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 92' ' ' CYS . 30.0 mtm-85 47.43 44.04 16.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -141.77 170.49 15.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 27.0 ttt-85 -93.92 114.6 26.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 72.3 mt -99.28 149.03 35.44 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.597 0.713 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 104.39 1.32 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.702 2.268 . . . . 0.0 112.311 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.8 t -51.77 -28.31 14.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -51.86 -36.79 49.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -73.76 -26.88 60.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -101.75 22.98 11.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 11.6 mt -69.54 119.89 14.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.88 0.371 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.456 ' N ' HD21 ' A' ' 19' ' ' LEU . 4.3 mm? -73.29 -48.25 36.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.13 -21.39 38.85 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -86.49 4.47 39.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.744 0.307 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 27.2 mt -93.17 -59.07 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.183 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.415 HD12 ' CD1' ' A' ' 48' ' ' LEU . 22.9 mt -105.08 40.97 1.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.502 HE21 ' N ' ' A' ' 25' ' ' GLY . 8.8 tp60 -63.62 112.49 2.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.502 ' N ' HE21 ' A' ' 24' ' ' GLN . . . 90.41 28.67 16.25 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.472 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.2 t -117.01 134.13 61.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 0.0 111.166 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.41 ' CG1' ' HA ' ' A' ' 60' ' ' SER . 84.4 t -115.46 110.4 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.0 m -106.35 151.87 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.6 t -127.0 129.82 71.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.2 mt -81.96 123.48 28.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.6 m -139.89 105.86 5.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.07 39.52 3.52 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.483 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.584 ' CE1' ' CD2' ' A' ' 41' ' ' LEU . 92.9 m-85 -127.92 148.56 50.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -136.51 128.96 30.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.531 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 2.0 p30 -54.22 154.17 8.49 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.662 0.744 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 54.1 Cg_endo -69.77 -23.91 8.84 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.341 -0.018 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -41.39 -52.37 3.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 -50.03 -54.28 21.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.0 m -56.94 -60.35 3.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -44.94 -51.72 9.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.584 ' CD2' ' CE1' ' A' ' 33' ' ' PHE . 28.4 tp -55.52 -46.33 77.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.456 ' HG3' ' CD2' ' A' ' 52' ' ' TYR . 36.5 ttp180 -57.77 -52.18 66.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -50.11 -53.41 27.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.429 ' HG2' ' ND1' ' A' ' 93' ' ' HIS . 64.1 mttt -52.57 -45.22 66.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.5 -36.11 75.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 27.2 mt -64.74 -42.05 95.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.4 ' C ' ' HB3' ' A' ' 19' ' ' LEU . 6.1 mm-40 -51.33 -53.42 36.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.415 ' CD1' HD12 ' A' ' 23' ' ' LEU . 6.8 mt -57.27 -12.78 2.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.1 27.74 25.02 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.49 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.57 155.86 17.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.873 0.368 . . . . 0.0 111.081 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.64 130.28 38.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.456 ' CD2' ' HG3' ' A' ' 42' ' ' ARG . 1.8 t80 -101.03 113.59 26.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.1 mmp_? -108.75 143.98 28.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.61 0.719 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -26.41 27.49 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.709 2.273 . . . . 0.0 112.3 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -143.84 164.0 31.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.52 ' CE3' HD22 ' A' ' 63' ' ' LEU . 58.7 t-105 -61.05 108.35 0.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.941 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 39.3 p -100.48 166.88 10.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -69.96 -24.44 63.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.819 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -85.11 -14.22 47.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.474 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 28.1 m -55.51 139.78 42.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 39.6 p -109.44 -42.94 4.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.099 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.442 ' CE1' HH21 ' A' ' 82' ' ' ARG . 0.3 OUTLIER -127.98 161.87 28.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.644 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.52 HD22 ' CE3' ' A' ' 56' ' ' TRP . 1.2 tm? -119.92 121.09 38.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.963 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.456 ' N ' HD12 ' A' ' 63' ' ' LEU . 29.9 mm -90.61 97.73 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.159 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 41.3 t -105.24 140.25 38.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.4 -40.07 13.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.4 ' CD1' ' N ' ' A' ' 67' ' ' PHE . 0.4 OUTLIER -154.26 137.95 16.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.05 -178.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 65.62 45.26 2.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.2 p -125.39 158.17 65.16 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.563 0.697 . . . . 0.0 111.176 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -25.71 28.33 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.68 2.253 . . . . 0.0 112.316 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm -90.28 -34.68 15.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.48 ' CZ ' HD12 ' A' ' 77' ' ' LEU . 37.7 t80 -57.22 -59.22 5.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.6 t -60.42 -46.42 90.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.827 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -47.33 -61.56 1.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.463 HG23 ' CD2' ' A' ' 56' ' ' TRP . 39.9 t -65.59 -14.93 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.48 HD12 ' CZ ' ' A' ' 73' ' ' TYR . 4.8 tt -77.21 -57.99 3.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.961 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.77 -39.32 87.0 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.505 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.2 mt -55.67 -38.0 69.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.853 0.359 . . . . 0.0 110.946 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 114.93 13.67 9.1 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.496 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -78.25 161.88 49.18 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.442 HH21 ' CE1' ' A' ' 62' ' ' HIS . 24.3 ttp180 -84.34 100.85 11.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.782 0.325 . . . . 0.0 110.871 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.463 ' CD1' ' O ' ' A' ' 73' ' ' TYR . 12.2 mt -91.52 125.67 44.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 2.3 m -136.73 157.79 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -75.93 160.83 29.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -60.02 -30.17 68.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -45.0 -29.43 0.84 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 19.1 t90 -59.85 -52.77 64.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 81.1 t -66.52 -50.95 62.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 33.6 mt -51.1 -56.88 10.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -59.31 -58.49 8.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 96' ' ' ARG . 64.3 m -43.54 -49.48 7.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.429 ' ND1' ' HG2' ' A' ' 44' ' ' LYS . 7.2 t-80 -58.94 -67.72 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.637 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 -41.06 -60.29 1.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.461 ' HB3' ' NE ' ' A' ' 97' ' ' ARG . 4.2 mmt -66.79 -24.71 66.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 92' ' ' CYS . 69.3 mtm180 62.34 33.24 16.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.461 ' NE ' ' HB3' ' A' ' 95' ' ' MET . 8.1 ptp180 -129.8 176.28 8.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 29.6 ttt-85 -97.85 88.54 4.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 20.8 mt -81.63 148.87 63.1 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.604 0.716 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 121.43 8.13 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.2 p -76.98 -23.12 52.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.84 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -55.22 -32.41 62.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -75.39 -16.23 60.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -110.71 30.31 6.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.3 mt -85.63 121.13 27.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 11.0 mtm . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.816 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.88 0.371 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.573 ' CD2' ' CD2' ' A' ' 93' ' ' HIS . 5.4 mp -52.05 -51.92 54.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.956 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.45 -17.26 1.15 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.531 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.2 mttp -94.88 -28.36 15.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.709 0.29 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.4 mt -55.7 -59.03 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.153 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 66.8 mt -106.23 56.37 0.66 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -80.72 107.19 13.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.41 29.34 10.25 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.0 t -119.29 144.59 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 111.156 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.0 t -120.51 113.03 38.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.5 m -105.82 148.84 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.3 t -130.56 126.96 61.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.552 HD11 ' CE1' ' A' ' 52' ' ' TYR . 18.7 mt -87.55 124.94 34.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.7 t -141.47 105.44 4.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.812 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.6 50.09 1.73 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -125.35 161.83 26.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -140.05 124.83 18.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.48 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.3 OUTLIER -60.01 159.98 18.27 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.708 . . . . 0.0 110.901 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.48 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 54.1 Cg_endo -69.78 -27.33 6.89 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.336 -0.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 36' ' ' PRO . 13.6 t80 -36.76 -47.91 0.7 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -52.68 -55.9 19.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 95.2 p -59.23 -58.43 8.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -47.28 -51.91 17.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.4 tp -53.22 -48.64 67.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.512 ' HD2' ' CD2' ' A' ' 52' ' ' TYR . 27.0 ttp180 -57.21 -42.57 81.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -54.22 -59.51 4.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.505 ' CG ' ' CG ' ' A' ' 93' ' ' HIS . 1.7 mptp? -50.49 -45.65 56.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.26 -41.18 71.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.091 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.2 mt -63.33 -41.79 98.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -56.56 -37.75 70.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.7 mt -70.88 -14.77 62.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.69 16.2 49.74 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.512 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.77 147.54 26.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.841 0.353 . . . . 0.0 111.07 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -88.8 123.93 33.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.935 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.552 ' CE1' HD11 ' A' ' 30' ' ' LEU . 3.7 t80 -101.75 112.08 24.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 32.1 mmm180 -107.63 143.53 27.45 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.61 0.719 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -12.53 33.18 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.721 2.28 . . . . 0.0 112.308 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -152.74 163.8 39.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.433 ' CZ3' ' HB2' ' A' ' 63' ' ' LEU . 72.8 t-105 -64.71 102.66 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.1 p -85.2 -175.85 5.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.13 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.26 -3.5 57.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -106.24 -15.47 14.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.827 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 64.1 m -51.58 129.17 25.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 71.5 p -110.63 -31.27 7.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.085 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -136.73 125.11 23.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.59 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.433 ' HB2' ' CZ3' ' A' ' 56' ' ' TRP . 11.4 tp -95.07 114.1 25.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.99 -1.004 . . . . 0.0 110.857 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 43.8 mm -80.14 97.86 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 19.5 t -98.53 141.18 31.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.34 -33.82 23.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -160.96 145.1 13.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.57 -179.71 2.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.086 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 67.52 37.24 3.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.44 160.07 35.91 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.558 0.694 . . . . 0.0 111.156 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -29.91 23.35 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.668 2.245 . . . . 0.0 112.345 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.74 -26.72 27.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.559 ' CE1' HD13 ' A' ' 77' ' ' LEU . 3.0 t80 -63.82 -45.64 88.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.3 t -65.06 -47.48 77.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.843 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -47.41 -64.09 0.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.408 HG13 ' CH2' ' A' ' 56' ' ' TRP . 42.1 t -60.67 -14.86 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.559 HD13 ' CE1' ' A' ' 73' ' ' TYR . 4.6 tt -75.11 -46.25 35.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -72.08 -37.58 59.99 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.493 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 35.0 mt -58.07 -47.17 83.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.832 0.349 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 122.49 27.92 1.54 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -94.19 152.56 20.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -76.86 103.24 6.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.772 0.32 . . . . 0.0 110.911 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 21.0 mt -91.6 112.16 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.4 m -126.21 167.46 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 29.7 mmm-85 -71.94 173.81 7.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.413 ' HD2' ' C ' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -83.79 -33.82 24.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.404 ' N ' ' HD2' ' A' ' 86' ' ' LYS . 5.1 tt0 -47.21 -31.42 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 27.7 t90 -49.48 -49.74 44.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 89.4 t -65.33 -55.12 21.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.114 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 78.4 mt -49.14 -64.46 0.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.416 ' CG ' ' HE1' ' A' ' 95' ' ' MET . 22.5 t0 -48.06 -48.74 33.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.8 m -53.67 -48.18 69.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.573 ' CD2' ' CD2' ' A' ' 19' ' ' LEU . 48.4 t-80 -67.32 -64.55 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.576 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -39.33 -54.22 1.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.416 ' HE1' ' CG ' ' A' ' 91' ' ' ASP . 28.3 mtm -80.8 -15.18 57.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 93' ' ' HIS . 60.3 mtm180 58.29 38.7 26.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -135.52 160.23 39.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 36.8 ttt-85 -88.6 117.23 27.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 26.1 mt -104.32 145.67 31.13 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.603 0.716 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 101.06 0.87 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.66 2.24 . . . . 0.0 112.357 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.0 p -43.51 -24.62 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.459 ' HA ' ' CD1' ' A' ' 105' ' ' LEU . 3.5 mp0 -52.83 -43.95 66.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -60.6 -17.54 47.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -117.51 34.64 5.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.459 ' CD1' ' HA ' ' A' ' 102' ' ' GLN . 10.1 mt -84.37 109.92 18.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.927 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 12.3 mtm . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 179.873 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.919 0.39 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.472 ' CD2' ' HB3' ' A' ' 47' ' ' GLU . 5.5 mp -61.82 -47.37 85.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.49 -15.14 2.72 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.17 -19.27 16.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.757 0.313 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.46 ' CD1' ' HA ' ' A' ' 19' ' ' LEU . 75.4 mt -63.31 -58.4 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.8 mt -110.34 49.06 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.02 116.9 12.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.35 31.92 32.71 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.511 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.2 t -117.16 146.73 21.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.84 0.353 . . . . 0.0 111.175 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.7 t -119.24 119.4 60.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.5 m -116.29 146.32 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.5 t -120.49 125.88 74.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.8 mt -83.2 117.57 23.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.514 ' O ' ' CD2' ' A' ' 33' ' ' PHE . 7.7 t -124.13 153.82 40.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 39.38 53.28 2.82 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.512 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.514 ' CD2' ' O ' ' A' ' 31' ' ' SER . 45.3 m-85 -124.59 150.3 46.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 0.0 110.86 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -140.78 136.15 32.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.498 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.6 OUTLIER -65.85 160.47 61.94 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.591 0.71 . . . . 0.0 110.895 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.6 Cg_endo -69.79 -27.47 6.82 Favored 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.325 -0.038 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' A' ' 36' ' ' PRO . 51.5 t80 -35.37 -49.9 0.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -53.13 -53.5 49.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.1 p -57.62 -47.67 81.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -57.13 -53.22 60.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 39.8 tp -60.75 -44.43 96.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.407 ' NH1' HD11 ' A' ' 46' ' ' LEU . 2.9 tmm_? -51.89 -44.45 63.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -59.99 -55.95 27.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -48.03 -51.23 24.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.27 -35.97 39.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.077 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.407 HD11 ' NH1' ' A' ' 42' ' ' ARG . 42.1 mt -70.07 -46.45 64.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.472 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 17.0 mm-40 -51.18 -44.96 61.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.9 mt -65.29 -17.13 64.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.43 30.45 9.89 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.498 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.23 152.24 20.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 111.08 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -92.1 122.69 34.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -97.28 108.55 21.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -105.06 143.26 26.37 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.623 0.725 . . . . 0.0 110.853 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -20.58 34.58 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.728 2.285 . . . . 0.0 112.32 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -143.97 159.05 43.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.537 ' CZ3' ' HB3' ' A' ' 60' ' ' SER . 62.4 t-105 -57.27 105.49 0.24 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.3 p -92.57 170.44 9.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -78.02 -1.61 33.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -108.43 -7.36 15.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.537 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 4.3 m -59.64 125.5 23.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.469 ' C ' ' ND1' ' A' ' 62' ' ' HIS . 22.0 p -108.31 -30.9 8.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.1 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.58 ' CD2' ' CH2' ' A' ' 88' ' ' TRP . 0.2 OUTLIER -135.13 126.66 28.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.541 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 20.4 tp -95.59 120.22 35.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.437 HD12 ' CG2' ' A' ' 89' ' ' VAL . 13.2 mm -93.38 91.31 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 6.7 t -94.45 145.34 24.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.86 -42.91 26.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -161.05 161.08 31.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.53 -178.07 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 57.38 51.98 9.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.7 p -127.88 157.24 74.29 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.6 0.714 . . . . 0.0 111.115 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -18.81 37.09 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.676 2.25 . . . . 0.0 112.341 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -94.12 -31.94 13.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.562 ' CE2' HD11 ' A' ' 77' ' ' LEU . 73.5 t80 -56.99 -58.66 7.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.8 t -61.97 -49.08 77.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.802 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -43.36 -58.15 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.3 t -71.09 -14.97 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.562 HD11 ' CE2' ' A' ' 73' ' ' TYR . 2.2 tt -72.05 -52.17 18.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.95 -39.74 93.33 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.484 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 43.5 mt -53.9 -43.58 69.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.88 0.372 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 114.79 29.66 2.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.47 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -93.11 174.63 35.71 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.422 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.493 HH21 ' CE1' ' A' ' 62' ' ' HIS . 13.7 ttp-105 -97.79 105.27 17.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.328 . . . . 0.0 110.909 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 22.4 mt -91.97 113.48 27.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 16.8 m -128.43 151.13 34.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.096 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.9 mtp180 -64.59 171.18 3.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.4 pttp -76.39 -23.48 54.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -50.42 -38.59 43.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.58 ' CH2' ' CD2' ' A' ' 62' ' ' HIS . 27.2 t90 -46.58 -43.02 16.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.437 ' CG2' HD12 ' A' ' 64' ' ' ILE . 93.5 t -72.91 -58.66 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.162 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.1 mt -42.51 -71.36 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -44.5 -47.69 10.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.8 m -55.56 -43.74 76.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.443 ' CD2' ' CD2' ' A' ' 19' ' ' LEU . 18.6 t-80 -72.21 -63.59 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.584 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.7 tpp85 -42.44 -44.69 4.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.441 ' CB ' ' HG2' ' A' ' 97' ' ' ARG . 5.0 mtm -91.22 -11.49 38.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.424 ' C ' HD13 ' A' ' 22' ' ' ILE . 27.5 mtm-85 50.95 42.31 28.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.441 ' HG2' ' CB ' ' A' ' 95' ' ' MET . 5.1 ptp180 -137.1 158.75 43.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 17.0 ttt-85 -85.33 107.02 17.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.6 mt -102.33 148.86 36.04 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.561 0.695 . . . . 0.0 110.941 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 129.28 17.27 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.705 2.27 . . . . 0.0 112.281 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 64.6 p -71.09 -10.5 59.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -54.89 -53.53 54.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.56 ' HG3' ' CD2' ' A' ' 104' ' ' TYR . 3.3 ptp180 -63.22 -12.26 27.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.56 ' CD2' ' HG3' ' A' ' 103' ' ' ARG . 81.3 m-85 -112.81 28.03 9.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.0 mt -79.99 125.69 30.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.3 mtp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.853 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.506 ' CG ' ' N ' ' A' ' 19' ' ' LEU . 6.2 pt-20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.849 0.357 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.506 ' N ' ' CG ' ' A' ' 18' ' ' GLU . 5.5 mp -61.42 -55.8 27.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.47 -17.61 2.02 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.503 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.9 mmtm -89.73 -26.85 20.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.692 0.282 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.448 HD13 ' CA ' ' A' ' 97' ' ' ARG . 45.8 mt -57.51 -57.71 9.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.438 ' CD1' HD11 ' A' ' 48' ' ' LEU . 21.6 mt -106.76 57.3 0.64 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.939 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -78.88 112.54 16.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.6 23.69 41.98 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.8 t -110.5 146.24 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 0.0 111.103 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 65.0 t -124.06 115.0 43.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.1 m -105.25 153.95 6.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.174 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.9 t -128.47 125.85 64.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.0 mt -87.06 119.1 26.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.963 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 85.3 p -129.53 133.13 47.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 67.0 43.34 91.41 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.568 ' CE1' ' HB1' ' A' ' 66' ' ' ALA . 64.5 m-85 -126.28 150.68 48.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 0.0 110.861 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.4 pm0 -140.23 140.57 35.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.528 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 1.2 p-10 -62.31 154.17 72.45 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.564 0.697 . . . . 0.0 110.944 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.7 Cg_endo -69.79 -26.41 7.44 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.363 -0.007 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.435 ' C ' ' O ' ' A' ' 36' ' ' PRO . 1.7 t80 -34.85 -50.34 0.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -54.68 -47.71 73.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 36' ' ' PRO . 1.5 t -61.63 -48.53 80.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -56.49 -48.08 77.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.459 ' CD1' ' CE1' ' A' ' 33' ' ' PHE . 10.3 mt -61.76 -57.63 11.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -52.11 -46.7 65.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -53.32 -59.19 4.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -56.79 -38.24 72.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.33 -35.01 76.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.0 mt -69.42 -39.78 77.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.415 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 14.7 mm-40 -52.52 -52.17 56.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.438 HD11 ' CD1' ' A' ' 23' ' ' LEU . 30.4 mt -57.37 -18.77 19.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.04 22.12 23.71 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.34 154.84 17.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 111.127 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -91.12 142.26 27.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -111.71 112.25 23.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -115.38 143.81 31.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.556 0.693 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -12.85 33.79 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.655 2.237 . . . . 0.0 112.374 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' A' ' 56' ' ' TRP . 7.5 t70 -151.72 169.65 21.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.588 ' CZ2' ' O ' ' A' ' 60' ' ' SER . 70.3 t-105 -74.58 121.92 22.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.7 p -110.31 -178.02 3.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.153 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.5 ptt85 -74.68 -4.53 37.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -110.45 -23.09 11.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.588 ' O ' ' CZ2' ' A' ' 56' ' ' TRP . 4.0 m -51.8 106.36 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.825 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.417 ' OG1' ' ND1' ' A' ' 62' ' ' HIS . 70.8 p -85.81 -45.09 11.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.137 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.417 ' ND1' ' OG1' ' A' ' 61' ' ' THR . 4.2 m80 -122.42 148.01 45.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.57 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 tp -118.0 128.62 54.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.99 -1.004 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.5 mm -89.14 91.62 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 42.3 t -95.49 114.06 25.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.568 ' HB1' ' CE1' ' A' ' 33' ' ' PHE . . . -67.27 -35.19 78.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -161.17 142.5 11.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.71 -175.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.102 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.3 m120 64.33 26.14 13.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -110.5 159.9 30.52 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.566 0.698 . . . . 0.0 111.156 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -19.33 36.29 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.733 2.289 . . . . 0.0 112.293 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.06 -18.24 24.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.866 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -76.41 -48.84 18.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.5 m -73.16 -31.68 64.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.838 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -61.17 -60.39 3.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.563 HG21 ' CE3' ' A' ' 56' ' ' TRP . 39.3 t -67.04 -14.96 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 37.8 tp -78.61 -50.44 11.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -62.05 -32.93 84.01 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.1 mt -71.11 -57.52 4.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.801 0.334 . . . . 0.0 110.93 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 131.16 28.8 0.63 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -87.66 173.73 43.96 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.521 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -88.21 94.82 9.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 35.1 mt -84.26 120.61 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.109 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.7 m -138.65 176.59 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.117 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -94.88 -178.13 4.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.4 pttm -77.48 -29.65 52.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -43.78 -32.24 1.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 19.9 t90 -58.99 -60.11 4.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 95.7 t -59.64 -52.36 61.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 28.4 mt -49.68 -57.36 7.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -62.18 -41.6 98.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 2.8 m -56.4 -44.86 80.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -76.84 -60.77 2.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.57 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -43.27 -33.93 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 5.5 mtm -104.8 -11.84 16.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 51.1 mtm180 52.54 41.83 31.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.448 ' CA ' HD13 ' A' ' 22' ' ' ILE . 15.7 ptp180 -137.82 166.11 24.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 47.4 ttt85 -92.63 115.3 27.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.0 mt -103.03 144.01 27.77 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.614 0.721 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 93.4 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 2.245 . . . . 0.0 112.352 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.2 p -49.6 -21.17 0.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -53.78 -25.11 17.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -92.45 -14.75 28.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -107.23 23.16 14.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 63.1 mt -84.2 133.39 34.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.934 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.4 mtm . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 179.841 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.875 0.369 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.6 mp -59.21 -49.16 78.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 47' ' ' GLU . . . -47.84 -18.61 0.74 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.458 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.6 mttp -90.07 -29.45 18.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.757 0.313 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 74.9 mt -52.49 -57.71 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.118 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.474 HD22 ' CZ2' ' A' ' 88' ' ' TRP . 67.8 mt -109.38 47.91 0.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.963 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -68.9 113.15 6.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.89 36.56 9.08 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.446 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 84.7 t -120.34 153.82 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.361 . . . . 0.0 111.091 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 65.9 t -128.2 115.96 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.6 m -112.16 169.78 4.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.1 t -144.36 125.21 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.0 mt -82.08 117.71 22.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.2 t -127.84 134.29 49.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 67.4 42.09 90.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.541 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -120.32 151.68 38.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.782 0.325 . . . . 0.0 110.908 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -142.86 123.28 13.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.533 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 11.7 p-10 -50.8 153.84 2.72 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.64 0.733 . . . . 0.0 110.904 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 54.3 Cg_endo -69.75 -26.2 7.54 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.399 -0.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.458 ' C ' ' O ' ' A' ' 36' ' ' PRO . 15.8 t80 -34.04 -60.69 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -45.75 -53.25 9.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.0 t -58.03 -58.66 7.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -45.09 -47.81 11.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 57.0 tp -64.76 -46.5 81.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.604 ' CZ ' ' CD2' ' A' ' 52' ' ' TYR . 9.9 tpt180 -44.51 -53.7 6.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -55.99 -54.66 42.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -46.38 -49.44 17.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.06 -41.69 98.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.085 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.9 -43.29 98.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 20' ' ' GLY . 4.6 mm-40 -53.69 -48.83 69.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.47 ' CD1' HD11 ' A' ' 23' ' ' LEU . 4.4 mt -58.24 -23.48 56.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.63 26.81 8.35 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.99 151.57 20.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.834 0.349 . . . . 0.0 111.112 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -85.18 130.98 34.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.604 ' CD2' ' CZ ' ' A' ' 42' ' ' ARG . 7.1 t80 -103.05 107.15 17.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -105.62 140.82 21.56 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.625 0.726 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.77 -16.7 37.63 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -149.4 162.41 40.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.467 ' CZ3' ' HB3' ' A' ' 60' ' ' SER . 55.5 t-105 -63.94 99.95 0.28 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 48.9 p -93.88 -179.73 5.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.12 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.07 -32.95 67.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -74.34 -17.76 60.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.467 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 17.5 m -53.18 118.14 3.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.7 p -107.35 -36.68 6.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.163 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -126.41 143.05 51.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.607 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 15.7 tp -109.36 117.43 34.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.453 HD13 ' CG2' ' A' ' 89' ' ' VAL . 25.8 mm -87.05 89.7 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 36.0 t -94.61 138.19 32.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.429 ' HB3' ' CD2' ' A' ' 67' ' ' PHE . . . -76.69 -41.11 46.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.429 ' CD2' ' HB3' ' A' ' 66' ' ' ALA . 1.0 OUTLIER -160.53 155.12 23.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.84 -177.88 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 63.95 33.29 12.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.59 157.49 44.16 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.584 0.707 . . . . 0.0 111.18 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -17.31 37.74 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.698 2.265 . . . . 0.0 112.333 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.5 tptp -97.17 -15.66 20.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -78.63 -44.13 24.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.9 m -76.32 -34.14 59.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -59.62 -61.3 2.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.8 t -63.98 -15.0 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.103 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.461 ' CA ' HD12 ' A' ' 83' ' ' ILE . 59.2 tp -75.82 -46.38 30.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.47 -37.32 92.58 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.467 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.7 mt -61.62 -42.87 99.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.808 0.337 . . . . 0.0 110.891 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 111.84 37.86 1.49 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.515 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -99.84 163.84 19.54 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.511 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 17.0 ttm-85 -76.03 95.12 3.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.351 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.461 HD12 ' CA ' ' A' ' 77' ' ' LEU . 67.2 mt -85.83 112.96 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.448 ' CG1' HD22 ' A' ' 105' ' ' LEU . 30.8 m -129.88 153.97 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -74.67 159.26 32.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -59.94 -39.07 84.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -38.37 -41.3 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.49 ' HA ' ' CE2' ' A' ' 104' ' ' TYR . 25.0 t90 -43.94 -46.03 7.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.453 ' CG2' HD13 ' A' ' 64' ' ' ILE . 95.7 t -72.05 -51.68 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 46.5 mt -47.11 -68.37 0.2 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.07 -56.47 12.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 19.7 m -46.18 -41.75 13.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -71.78 -63.26 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.638 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -38.49 -57.29 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.825 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 12.5 mtm -78.28 -24.55 46.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 64.7 mtt85 63.74 42.65 6.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -143.89 153.47 42.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.4 121.58 17.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 96.3 mt -111.7 153.02 44.49 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.638 0.733 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 100.83 0.85 Allowed 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.693 2.262 . . . . 0.0 112.359 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 104' ' ' TYR . 1.1 t -58.1 -27.86 64.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -40.05 -57.68 1.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -57.05 -28.18 62.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.49 ' CE2' ' HA ' ' A' ' 88' ' ' TRP . 69.9 m-85 -80.58 -32.13 36.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.448 HD22 ' CG1' ' A' ' 84' ' ' VAL . 68.4 mt -45.18 108.17 0.12 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.0 mtm . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.85 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.891 0.377 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.437 ' CD2' ' HB3' ' A' ' 47' ' ' GLU . 5.0 mp -71.85 -36.79 70.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.95 -9.05 9.28 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt -102.51 4.77 38.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.768 0.318 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.0 mt -89.13 -57.98 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.507 HD23 ' CZ2' ' A' ' 88' ' ' TRP . 78.1 mt -110.81 41.42 1.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -64.31 129.75 41.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.85 25.45 67.05 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.464 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.5 t -117.51 153.48 19.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.916 0.389 . . . . 0.0 111.094 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 55.0 t -126.84 141.27 46.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.8 m -133.72 141.34 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.147 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.6 t -116.62 126.15 73.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.155 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.557 HD13 ' CE1' ' A' ' 52' ' ' TYR . 96.7 mt -84.92 132.23 34.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.0 m -151.46 133.86 15.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.59 48.55 61.79 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.521 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.486 ' CZ ' HG22 ' A' ' 64' ' ' ILE . 42.3 m-85 -127.64 155.36 44.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 0.0 110.886 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -137.23 140.53 41.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.489 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 13.8 m-80 -65.36 160.93 54.83 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.622 0.725 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.4 Cg_endo -69.75 -29.18 5.84 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.648 -1.813 . . . . 0.0 112.329 -0.104 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.558 ' CZ ' HD23 ' A' ' 41' ' ' LEU . 11.1 t80 -35.37 -52.66 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 37' ' ' PHE . 9.7 tpp85 -35.41 -50.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.2 t -67.13 -55.63 13.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -43.46 -44.27 5.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.558 HD23 ' CZ ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -53.8 -54.22 41.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.956 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.504 ' HD2' ' CD2' ' A' ' 52' ' ' TYR . 29.5 ttp180 -60.39 -58.55 8.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -41.28 -51.4 3.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.504 ' HG2' ' CG ' ' A' ' 93' ' ' HIS . 43.2 mttp -66.17 -39.81 90.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.91 -33.29 75.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 69.9 mt -68.5 -49.23 61.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.963 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.437 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 12.0 mm-40 -49.68 -49.83 45.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.7 mt -57.58 -18.46 19.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.21 13.11 43.38 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.518 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.5 141.7 28.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.368 . . . . 0.0 111.067 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -85.3 128.41 34.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.557 ' CE1' HD13 ' A' ' 30' ' ' LEU . 3.8 t80 -95.89 127.91 42.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -123.67 144.63 44.99 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.608 0.718 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -24.32 29.62 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.716 2.278 . . . . 0.0 112.301 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -147.68 170.57 17.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.529 ' CH2' HG13 ' A' ' 76' ' ' VAL . 31.2 t-105 -59.27 139.11 57.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.8 p -133.87 156.59 47.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.156 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.413 ' C ' ' HD3' ' A' ' 58' ' ' ARG . 2.9 tmt_? -57.81 -29.05 64.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.71 -11.31 56.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.426 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 68.0 m -56.85 123.16 14.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 51.3 p -106.0 -41.38 5.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -128.32 152.08 48.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.624 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.3 tp -122.14 128.38 51.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.977 -1.011 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.486 HG22 ' CZ ' ' A' ' 33' ' ' PHE . 20.4 mm -90.82 98.01 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 23.4 t -100.49 144.53 29.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.93 -30.86 16.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.111 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -164.54 156.23 15.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.26 -175.46 1.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.113 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 61.39 32.34 19.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.1 p -109.79 157.12 38.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.612 0.72 . . . . 0.0 111.17 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -19.92 35.64 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.651 2.234 . . . . 0.0 112.355 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.0 tptp -96.19 -9.21 31.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -79.35 -45.7 19.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -78.27 -36.2 47.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.849 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 19.8 tp60 -55.5 -51.54 66.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.529 HG13 ' CH2' ' A' ' 56' ' ' TRP . 38.6 t -78.89 -14.93 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.172 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 38.8 tp -69.02 -44.07 73.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -74.98 -36.91 45.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.465 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 67.9 mt -54.95 -41.87 71.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.87 0.367 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 116.04 21.38 4.93 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.479 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -85.2 167.14 41.15 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.479 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -91.33 98.23 11.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.826 0.345 . . . . 0.0 110.895 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 33.1 mt -85.0 115.05 26.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.0 m -134.67 160.17 41.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -79.05 167.01 21.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.6 pttt -65.07 -31.99 73.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.0 -28.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.507 ' CZ2' HD23 ' A' ' 23' ' ' LEU . 23.2 t90 -62.8 -49.2 75.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 71.4 t -70.12 -48.91 59.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.077 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 58.5 mt -47.42 -59.27 3.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -61.01 -46.47 90.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 17.4 m -52.37 -37.23 55.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.504 ' CG ' ' HG2' ' A' ' 44' ' ' LYS . 59.3 t-80 -80.43 -57.7 3.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.563 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -44.74 -39.15 4.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 32.0 mtm -102.0 -10.52 19.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.9 mtm-85 48.3 42.9 18.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.1 ptp85 -139.39 154.83 47.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -69.47 121.06 16.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.819 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 84.1 mt -111.65 144.07 29.86 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.619 0.723 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 109.2 2.26 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.35 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.6 p -64.73 -13.18 53.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -61.69 -25.6 67.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 16.2 mtt85 -86.81 -24.74 24.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -103.9 28.87 6.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.5 mt -78.1 128.28 33.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.7 mtp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.83 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.908 0.385 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -79.53 -48.75 13.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.9 -16.37 5.85 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.458 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.07 -22.36 22.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.792 0.33 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.422 HD13 ' C ' ' A' ' 96' ' ' ARG . 37.2 mt -62.94 -58.33 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.142 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.466 HD12 ' CD1' ' A' ' 48' ' ' LEU . 19.1 mt -109.37 39.96 1.96 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -60.15 124.12 19.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.85 32.27 53.93 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.462 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.5 t -116.35 150.36 18.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 111.13 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -130.52 116.97 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.3 m -110.1 140.52 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.9 t -117.65 125.42 74.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.14 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.3 mt -82.11 126.98 32.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 t -152.43 107.49 3.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.824 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.04 40.2 2.91 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -126.59 163.65 22.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 110.92 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -141.56 123.86 15.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.481 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -55.5 160.7 3.56 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 110.902 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.481 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 54.0 Cg_endo -69.75 -11.0 11.75 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.375 -0.066 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -39.17 -54.13 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' A' ' 35' ' ' ASN . 37.5 mtp180 -44.12 -68.49 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.3 m -44.58 -62.59 1.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -43.57 -50.93 7.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.5 tp -57.69 -64.67 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.566 ' HG3' ' CD2' ' A' ' 52' ' ' TYR . 16.9 ttt180 -37.86 -54.8 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -43.69 -66.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.6 mttt -49.34 -42.04 40.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.63 -40.26 87.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.7 mt -63.78 -35.76 81.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -56.92 -51.17 70.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.466 ' CD1' HD12 ' A' ' 23' ' ' LEU . 12.6 mt -59.46 -11.93 5.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.34 20.09 43.02 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.479 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.31 147.19 23.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 0.0 111.133 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -91.71 128.71 37.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.566 ' CD2' ' HG3' ' A' ' 42' ' ' ARG . 0.4 OUTLIER -98.17 109.86 22.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 -105.53 142.91 25.74 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.618 0.723 . . . . 0.0 110.844 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -16.89 37.71 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.713 2.275 . . . . 0.0 112.346 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.8 p30 -148.65 163.32 37.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.547 ' CZ3' ' HB3' ' A' ' 60' ' ' SER . 61.6 t-105 -71.04 105.08 3.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 78.9 p -91.27 -178.52 5.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.149 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -82.42 1.0 39.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -110.78 -9.89 14.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.547 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 39.9 m -55.16 129.76 39.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.826 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.434 ' OG1' ' ND1' ' A' ' 62' ' ' HIS . 72.7 p -109.5 -32.27 7.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.116 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.553 ' CD2' ' HD2' ' A' ' 82' ' ' ARG . 3.7 m80 -138.44 144.56 40.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.581 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.523 ' HB2' ' CZ3' ' A' ' 56' ' ' TRP . 20.8 tp -114.46 122.84 47.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.999 -1.001 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.419 HD13 ' CG2' ' A' ' 89' ' ' VAL . 23.8 mm -89.1 91.06 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 34.3 t -93.08 144.2 25.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.6 -31.46 19.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.069 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -163.2 151.05 13.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.44 -178.0 1.02 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.123 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 31.9 m-20 61.75 51.83 3.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.7 p -128.7 157.1 76.31 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.591 0.71 . . . . 0.0 111.115 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -19.18 36.41 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.654 2.236 . . . . 0.0 112.362 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.2 tptp -94.89 -32.66 13.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.568 ' CE1' HD13 ' A' ' 77' ' ' LEU . 14.0 t80 -57.03 -57.85 10.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 t -60.9 -52.46 64.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.839 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -43.3 -58.88 2.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.937 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.466 HG13 ' CZ2' ' A' ' 56' ' ' TRP . 39.2 t -67.21 -15.01 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.568 HD13 ' CE1' ' A' ' 73' ' ' TYR . 3.3 tt -75.19 -47.96 25.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.95 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.64 -36.29 67.49 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.9 mt -55.39 -46.88 76.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.857 0.36 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 121.41 30.18 1.33 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.487 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -97.3 168.56 24.35 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.45 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.553 ' HD2' ' CD2' ' A' ' 62' ' ' HIS . 10.7 ttm180 -89.93 97.85 11.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.78 0.324 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.9 mt -84.87 112.86 22.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.167 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.3 m -126.19 164.81 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 25.1 mtt85 -83.55 166.64 18.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -65.12 -44.24 89.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.25 -28.87 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 23.8 t90 -50.59 -51.26 50.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.419 ' CG2' HD13 ' A' ' 64' ' ' ILE . 66.7 t -68.73 -50.06 58.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 34.7 mt -49.64 -59.63 3.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -59.54 -57.88 11.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 96' ' ' ARG . 15.9 m -42.0 -55.66 3.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.411 ' O ' ' N ' ' A' ' 96' ' ' ARG . 44.5 t-80 -57.5 -59.81 4.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.631 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.3 tpt85 -39.8 -59.99 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 5.5 mtm -77.56 -12.18 59.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 92' ' ' CYS . 70.3 mtt-85 50.34 46.94 24.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -147.8 164.46 33.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -79.7 98.96 7.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 47.1 mt -83.61 153.87 65.03 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.646 0.736 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 100.94 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.715 2.277 . . . . 0.0 112.351 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.1 t -58.47 -31.1 67.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.487 ' HA ' ' CD1' ' A' ' 105' ' ' LEU . 6.2 pt20 -47.5 -31.99 4.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -73.21 -30.05 63.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -97.32 -13.88 21.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.487 ' CD1' ' HA ' ' A' ' 102' ' ' GLN . 22.7 mt -52.77 107.51 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.4 mtp . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.838 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.886 0.374 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.1 mp -59.54 -37.76 79.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.61 -13.19 22.83 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.491 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -93.84 -0.46 55.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.773 0.32 . . . . 0.0 110.942 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.46 HD11 ' CA ' ' A' ' 97' ' ' ARG . 7.1 mt -83.0 -57.85 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.7 mt -110.89 43.11 1.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -68.06 120.84 14.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.0 29.17 23.78 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.452 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.5 t -122.09 147.29 26.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.84 0.352 . . . . 0.0 111.125 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.4 t -123.47 117.72 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.1 m -108.12 133.76 52.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.3 t -110.78 123.45 66.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.3 mt -82.99 116.68 22.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.9 t -142.66 106.24 4.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.468 ' O ' ' CB ' ' A' ' 66' ' ' ALA . . . 106.91 34.4 3.01 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.549 ' CZ ' HG23 ' A' ' 64' ' ' ILE . 66.9 m-85 -127.52 160.95 29.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 0.0 110.855 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.485 ' O ' ' CB ' ' A' ' 37' ' ' PHE . 40.3 tt0 -137.05 129.33 29.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.539 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 8.2 p30 -53.77 151.71 11.09 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.621 0.724 . . . . 0.0 110.931 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.8 Cg_endo -69.75 -15.24 12.47 Favored 'Cis proline' 0 C--N 1.341 0.146 0 C-N-CA 122.748 -1.772 . . . . 0.0 112.325 0.01 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.485 ' CB ' ' O ' ' A' ' 34' ' ' GLN . 2.0 t80 -36.84 -47.51 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 35' ' ' ASN . 25.8 mtt180 -51.23 -70.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.6 t -48.12 -57.21 6.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -46.68 -50.36 17.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.0 tp -55.78 -48.88 74.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.559 ' HD2' ' CD2' ' A' ' 52' ' ' TYR . 26.0 ttt180 -60.82 -55.36 34.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -40.12 -57.2 1.73 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.45 ' HG2' ' ND1' ' A' ' 93' ' ' HIS . 66.1 mttt -59.55 -43.42 93.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.32 -32.69 72.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 72.6 mt -70.74 -43.54 68.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.02 -54.0 28.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.6 mt -53.19 -23.19 7.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.75 23.77 7.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.545 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.25 150.33 22.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 111.095 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.27 143.07 26.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.559 ' CD2' ' HD2' ' A' ' 42' ' ' ARG . 5.0 t80 -108.18 114.7 28.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.0 mmp_? -103.13 143.75 27.24 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.625 0.726 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -19.51 35.99 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.639 2.226 . . . . 0.0 112.353 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -159.37 164.34 34.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.564 ' CH2' HG11 ' A' ' 76' ' ' VAL . 67.0 t-105 -62.2 116.59 5.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.2 t -123.14 172.71 8.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.144 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -64.2 -13.86 51.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.23 -6.39 38.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.836 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.467 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 72.5 m -78.21 118.14 20.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 72.3 p -94.91 -56.3 2.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.135 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.491 ' CE1' HH21 ' A' ' 82' ' ' ARG . 1.0 OUTLIER -112.02 141.06 46.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.614 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.0 tp -107.55 117.89 35.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.945 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.549 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 45.8 mm -81.41 91.06 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.077 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 49.6 t -89.39 127.04 35.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.524 ' HB1' ' CE2' ' A' ' 67' ' ' PHE . . . -75.82 -30.14 58.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.524 ' CE2' ' HB1' ' A' ' 66' ' ' ALA . 1.0 OUTLIER -166.07 148.21 7.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.55 -175.02 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 60.01 41.94 16.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -121.15 159.69 48.48 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.558 0.694 . . . . 0.0 111.145 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -32.42 18.81 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.684 2.256 . . . . 0.0 112.378 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -82.68 -28.68 30.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -62.48 -43.61 98.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 m -82.98 -10.49 58.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -79.62 -33.63 41.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.937 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.564 HG11 ' CH2' ' A' ' 56' ' ' TRP . 39.8 t -93.59 -14.91 8.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 51.0 tp -70.92 -38.71 72.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -79.46 -38.82 20.13 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 39.3 mt -55.47 -49.06 73.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.343 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 129.88 11.15 2.67 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.484 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -81.76 165.26 45.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.494 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.491 HH21 ' CE1' ' A' ' 62' ' ' HIS . 11.4 ttp180 -90.72 113.06 25.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 0.0 110.831 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 18.6 mt -95.39 115.22 33.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 16.4 m -131.66 159.1 43.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.148 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 -75.1 177.49 6.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.7 pttm -78.83 -31.92 45.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -41.86 -30.44 0.25 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 26.1 t90 -59.39 -47.44 85.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.959 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 80.0 t -71.68 -55.76 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 77.8 mt -44.22 -55.12 5.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.444 ' HB3' ' CD1' ' A' ' 99' ' ' LEU . 4.4 m-20 -64.41 -45.29 88.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 3.7 m -50.1 -49.03 52.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.469 ' O ' ' N ' ' A' ' 96' ' ' ARG . 21.8 t-80 -72.56 -60.82 2.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.602 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.8 tpt85 -40.88 -38.04 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 4.4 mtm -97.88 -15.22 20.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 93' ' ' HIS . 37.3 mtt180 55.09 45.39 26.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.46 ' CA ' HD11 ' A' ' 22' ' ' ILE . 9.2 ptp180 -145.27 -179.76 6.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 59.8 ttt-85 -99.85 117.52 34.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.444 ' CD1' ' HB3' ' A' ' 91' ' ' ASP . 74.2 mt -107.11 149.67 38.92 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.652 0.739 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 108.24 2.04 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.682 2.254 . . . . 0.0 112.386 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.4 p -63.44 -15.94 59.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -61.95 -29.75 70.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -77.47 -29.83 52.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -96.66 22.33 8.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.2 mt -69.07 128.19 35.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.3 mmt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.884 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.891 0.377 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -73.07 -43.56 61.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.941 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.96 -17.06 34.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -86.9 -3.64 59.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.76 0.314 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.419 HD12 ' C ' ' A' ' 96' ' ' ARG . 49.5 mt -87.41 -56.88 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.544 HD22 ' CZ2' ' A' ' 88' ' ' TRP . 16.8 mt -105.56 38.26 2.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -62.22 113.34 2.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.17 29.51 14.7 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.454 HG11 ' N ' ' A' ' 27' ' ' VAL . 95.8 t -120.23 153.07 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.89 0.376 . . . . 0.0 111.108 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.454 ' N ' HG11 ' A' ' 26' ' ' VAL . 48.0 t -132.33 127.87 57.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.076 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.4 m -117.78 153.93 19.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 63.1 t -125.73 129.91 72.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.6 mt -84.09 128.67 34.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 82.5 p -147.87 126.84 12.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 73.39 42.91 39.97 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.423 ' CZ ' HG21 ' A' ' 64' ' ' ILE . 41.3 m-85 -128.48 152.62 48.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.331 . . . . 0.0 110.881 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -139.78 142.82 36.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.941 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.496 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.4 OUTLIER -66.08 160.48 63.48 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.603 0.716 . . . . 0.0 110.911 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.8 Cg_endo -69.77 -33.43 3.42 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.385 -0.055 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.433 ' C ' ' O ' ' A' ' 36' ' ' PRO . 75.4 t80 -35.37 -53.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 37' ' ' PHE . 10.0 ttt180 -36.77 -50.12 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.2 m -72.94 -36.91 67.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 37' ' ' PHE . 40.9 tt0 -54.48 -51.77 64.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 tt -60.66 -60.78 3.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.3 ttt-85 -39.8 -59.12 1.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -47.24 -49.92 22.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -60.09 -47.93 83.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.67 -38.09 74.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.072 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 71.0 mt -62.83 -45.22 93.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -48.26 -54.19 14.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.2 mt -50.72 -18.51 0.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 100.84 20.35 14.67 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.443 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.18 144.51 26.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 0.0 111.105 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -85.15 139.7 31.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -101.19 118.23 36.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -108.17 143.85 28.23 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.614 0.721 . . . . 0.0 110.843 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -11.47 30.91 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.654 2.236 . . . . 0.0 112.323 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -168.13 172.6 8.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.496 ' CZ2' HG13 ' A' ' 76' ' ' VAL . 67.8 t-105 -67.08 113.05 4.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.419 ' OG1' ' N ' ' A' ' 58' ' ' ARG . 0.1 OUTLIER -117.44 169.73 9.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.159 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.419 ' N ' ' OG1' ' A' ' 57' ' ' THR . 47.8 mmm-85 -66.47 -16.44 64.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -92.46 -3.22 55.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.6 m -83.44 128.24 34.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.839 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 81.1 p -104.38 -34.56 8.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.14 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 44.4 m80 -130.26 152.72 49.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.554 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.4 tp -121.07 137.46 54.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.423 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 22.1 mm -104.38 95.78 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.0 t -100.58 131.67 46.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.0 -33.33 74.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.103 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -166.77 160.62 14.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.66 -178.5 2.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.117 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 63.44 42.23 6.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.2 p -122.02 158.72 54.29 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.555 0.693 . . . . 0.0 111.162 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -19.29 36.0 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.689 2.259 . . . . 0.0 112.359 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -95.28 -21.34 18.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -76.12 -42.8 45.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.1 t -79.07 -22.18 45.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -73.36 -49.13 28.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.496 HG13 ' CZ2' ' A' ' 56' ' ' TRP . 43.2 t -78.39 -14.85 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 26.4 tp -73.89 -33.38 64.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -81.31 -29.26 41.23 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.47 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 41.4 mt -65.73 -47.43 75.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.824 0.345 . . . . 0.0 110.931 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 122.41 17.96 3.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -82.89 169.77 48.91 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.529 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.458 ' CZ ' HD22 ' A' ' 105' ' ' LEU . 3.3 tpm_? -88.47 99.24 12.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.781 0.324 . . . . 0.0 110.885 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 27.4 mt -87.5 120.05 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.9 m -136.25 149.75 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.104 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 31.7 mtt-85 -59.2 -176.91 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.4 pttp -89.06 -9.06 52.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 88' ' ' TRP . 55.7 mm-40 -68.24 -42.83 79.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.544 ' CZ2' HD22 ' A' ' 23' ' ' LEU . 34.6 t90 -36.25 -71.24 0.07 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.429 ' O ' ' C ' ' A' ' 90' ' ' LEU . 1.3 p -47.51 -65.81 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 89' ' ' VAL . 90.5 mt -35.1 -59.4 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -52.99 -43.33 66.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 89' ' ' VAL . 71.9 m -58.57 -42.72 88.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -71.46 -38.04 71.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.546 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -59.48 -52.7 64.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 21.7 mtm -89.85 -4.09 57.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.419 ' C ' HD12 ' A' ' 22' ' ' ILE . 49.6 mtt180 46.77 44.61 14.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -147.19 156.47 42.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.402 ' N ' HG21 ' A' ' 22' ' ' ILE . 4.9 ttp180 -69.51 113.16 6.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 65.1 mt -105.05 150.21 38.49 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.59 0.71 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 121.05 7.73 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.659 2.239 . . . . 0.0 112.331 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 92.2 p -80.16 -12.21 59.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -63.75 -28.18 69.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 66.2 mtt85 -82.26 -18.11 43.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -99.88 3.4 44.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.93 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.458 HD22 ' CZ ' ' A' ' 82' ' ' ARG . 13.7 mt -50.26 131.09 23.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.5 mmt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.799 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.89 0.376 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.458 HD11 ' N ' ' A' ' 19' ' ' LEU . 7.1 mp -81.89 -30.98 31.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.04 -7.75 14.15 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm -103.37 5.24 37.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.789 0.328 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.1 mt -90.79 -58.46 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.478 HD22 ' CZ2' ' A' ' 88' ' ' TRP . 28.5 mt -107.95 43.55 1.2 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.7 tp60 -70.34 113.26 7.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.08 26.11 13.12 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.0 t -117.47 147.69 20.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.914 0.388 . . . . 0.0 111.112 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 90.9 t -124.54 108.34 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.4 m -103.23 153.3 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.4 t -130.44 127.67 62.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.3 mt -82.13 126.48 32.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.959 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.6 p -151.42 124.64 8.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.12 28.26 18.37 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.493 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -121.66 161.74 21.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.766 0.317 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -135.72 121.28 19.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.511 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 1.3 p-10 -50.62 154.16 2.44 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.573 0.702 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.4 Cg_endo -69.85 -15.01 12.69 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.355 -0.02 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 36' ' ' PRO . 3.5 t80 -36.08 -63.37 0.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.45 ' CG ' ' N ' ' A' ' 39' ' ' SER . 16.8 ptt180 -45.0 -45.26 10.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.45 ' N ' ' CG ' ' A' ' 38' ' ' ARG . 1.8 t -61.3 -57.52 12.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -52.24 -55.68 19.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 37.8 tp -50.11 -37.11 32.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -68.61 -49.58 58.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -46.69 -48.02 20.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -67.18 -43.23 82.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.11 -32.04 53.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 26.4 mt -76.28 -45.99 29.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -48.64 -40.56 28.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.0 mt -67.78 -24.52 65.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.99 15.02 17.43 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.53 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.24 151.57 20.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 111.106 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.3 mttp -89.84 142.61 27.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.926 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -110.3 119.92 40.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -117.94 144.05 33.86 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.624 0.726 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -25.82 28.21 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.658 2.239 . . . . 0.0 112.337 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.407 ' CG ' ' N ' ' A' ' 56' ' ' TRP . 3.2 t70 -144.79 163.04 35.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.856 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.527 ' CZ3' ' HB3' ' A' ' 60' ' ' SER . 69.0 t-105 -54.54 109.96 0.57 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 69.2 p -97.67 160.58 14.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.143 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.7 tpt85 -65.62 -18.89 65.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -93.84 -2.05 54.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.527 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 67.1 m -60.96 122.15 14.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.457 ' HB ' ' CE1' ' A' ' 62' ' ' HIS . 33.2 p -104.45 -31.4 9.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.457 ' CE1' ' HB ' ' A' ' 61' ' ' THR . 3.7 m80 -144.14 136.05 26.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.591 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.444 HD21 ' CG2' ' A' ' 76' ' ' VAL . 11.5 tp -104.4 130.45 52.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.949 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.428 HD13 ' CG2' ' A' ' 89' ' ' VAL . 3.6 mm -96.77 91.38 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 22.7 t -90.26 158.98 16.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.95 -38.07 8.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.13 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -157.38 145.51 19.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.64 -179.47 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 63.54 35.17 12.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.37 158.98 34.66 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.597 0.713 . . . . 0.0 111.147 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -31.21 20.96 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.663 2.242 . . . . 0.0 112.331 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -82.86 -26.24 31.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.548 ' CE2' HD13 ' A' ' 77' ' ' LEU . 75.4 t80 -63.19 -58.58 6.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 27.5 t -59.66 -34.54 72.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.835 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -56.91 -52.24 65.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.518 HG13 ' CH2' ' A' ' 56' ' ' TRP . 40.2 t -77.19 -14.98 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.176 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.548 HD13 ' CE2' ' A' ' 73' ' ' TYR . 1.5 tt -70.99 -52.49 19.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.939 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.38 -37.89 80.1 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.516 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 32.1 mt -56.4 -51.07 69.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 0.0 110.936 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 129.37 12.25 2.58 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.498 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -74.95 160.97 53.14 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -89.18 99.07 12.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.739 0.304 . . . . 0.0 110.9 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 11.1 mt -87.0 123.67 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.4 m -139.42 172.01 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.453 ' HB3' ' CZ ' ' A' ' 85' ' ' ARG . 2.7 mmm180 -75.15 175.74 7.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -84.27 -32.03 24.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -44.55 -30.7 0.94 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.478 ' CZ2' HD22 ' A' ' 23' ' ' LEU . 24.0 t90 -49.08 -58.65 4.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.428 ' CG2' HD13 ' A' ' 64' ' ' ILE . 42.7 t -62.05 -57.68 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 33.1 mt -45.21 -69.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -50.19 -43.72 52.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 2.3 m -55.06 -44.43 74.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.467 ' O ' ' N ' ' A' ' 96' ' ' ARG . 47.6 t-80 -74.45 -62.11 1.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.602 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -40.62 -35.39 0.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 7.4 mtm -101.93 -15.74 16.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 93' ' ' HIS . 13.0 mtm-85 55.64 44.28 26.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -139.72 170.05 16.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 25.9 ttt-85 -94.31 103.52 15.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 43.9 mt -90.69 148.26 38.11 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.605 0.717 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 104.78 1.37 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.693 2.262 . . . . 0.0 112.343 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.445 ' OG ' ' CE2' ' A' ' 88' ' ' TRP . 60.0 m -64.16 -15.41 59.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -66.51 -11.48 52.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -94.86 -15.11 23.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -107.0 0.8 23.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 23.2 mt -49.21 114.84 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 28.5 mtp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.83 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.853 0.359 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.444 HD22 ' N ' ' A' ' 19' ' ' LEU . 4.6 mm? -59.7 -46.94 87.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.55 -14.92 51.92 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.506 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -92.83 8.97 37.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.756 0.312 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.8 mt -91.59 -56.91 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.488 HD22 ' CZ2' ' A' ' 88' ' ' TRP . 54.0 mt -108.07 34.37 3.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -60.4 110.86 1.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.941 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.48 23.9 15.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.511 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.458 HG11 ' N ' ' A' ' 27' ' ' VAL . 57.7 t -119.49 152.85 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.37 . . . . 0.0 111.133 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.458 ' N ' HG11 ' A' ' 26' ' ' VAL . 14.3 t -130.97 127.3 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.1 m -118.91 165.23 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 75.2 t -138.51 136.74 43.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.0 mt -88.98 117.41 27.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.3 t -131.2 108.41 9.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.82 49.75 3.5 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.493 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.653 ' CZ ' ' CD2' ' A' ' 41' ' ' LEU . 58.8 m-85 -129.17 156.55 43.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.77 0.319 . . . . 0.0 110.892 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -142.37 134.69 27.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.525 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 1.2 p30 -62.08 154.18 70.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.621 0.724 . . . . 0.0 110.855 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 54.3 Cg_endo -69.75 -29.42 5.71 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.733 -1.778 . . . . 0.0 112.346 -0.096 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.44 ' C ' ' O ' ' A' ' 36' ' ' PRO . 9.2 t80 -35.27 -58.41 0.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.5 ttt85 -42.45 -49.51 5.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.6 t -67.26 -60.48 2.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.819 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -43.44 -39.68 3.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.653 ' CD2' ' CZ ' ' A' ' 33' ' ' PHE . 33.8 tp -67.62 -53.24 29.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.6 ttt-85 -49.3 -48.64 46.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -49.33 -62.59 1.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.824 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -44.87 -48.77 11.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.93 -44.52 74.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.122 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 31.9 mt -64.79 -43.65 92.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.46 -44.94 73.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.4 mt -60.39 -23.37 64.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.94 19.01 9.92 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.28 153.02 18.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.896 0.379 . . . . 0.0 111.101 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.455 ' N ' ' HD3' ' A' ' 51' ' ' LYS . 3.1 mppt? -93.17 139.12 30.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -103.49 112.37 25.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.402 ' NH1' HG23 ' A' ' 57' ' ' THR . 18.2 mmt85 -104.3 145.21 30.23 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.597 0.713 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -33.13 17.16 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.351 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -137.44 163.57 30.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.551 ' CZ3' ' HB2' ' A' ' 63' ' ' LEU . 76.1 t-105 -64.99 79.48 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.402 HG23 ' NH1' ' A' ' 53' ' ' ARG . 3.9 t -83.34 158.76 22.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.112 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -54.31 -22.23 11.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -79.41 -23.38 43.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 m -71.14 127.36 32.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 82.8 p -103.45 -47.18 4.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.148 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -109.82 149.98 29.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.588 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.551 ' HB2' ' CZ3' ' A' ' 56' ' ' TRP . 13.9 tp -120.17 116.15 25.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.7 mm -84.38 96.72 4.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 23.8 t -99.16 111.62 23.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.03 -42.25 60.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.088 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -157.61 147.39 20.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.28 -178.6 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.0 m120 69.01 32.68 3.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.7 p -112.14 156.28 42.18 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.594 0.711 . . . . 0.0 111.168 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -17.56 37.87 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.712 2.274 . . . . 0.0 112.377 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.2 mmtm -95.12 -23.25 17.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -72.78 -41.04 65.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.7 t -79.91 -18.35 50.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -79.4 -51.67 9.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.483 HG12 ' CZ2' ' A' ' 56' ' ' TRP . 39.3 t -72.48 -14.96 17.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 33.6 tp -71.43 -43.57 66.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -74.32 -36.15 50.89 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.498 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.9 mt -60.62 -41.5 94.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.812 0.339 . . . . 0.0 110.924 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 116.93 35.49 1.13 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -97.77 160.71 21.02 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.451 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.478 ' NE ' ' HA ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -84.71 99.06 10.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.778 0.323 . . . . 0.0 110.877 -179.864 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 47.2 mt -89.36 110.7 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.155 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 8.1 m -127.67 152.48 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.452 ' HG3' ' CG ' ' A' ' 106' ' ' MET . 18.1 mtt-85 -73.44 150.73 41.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.3 pttm -50.67 -26.61 5.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -46.52 -44.56 17.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.488 ' CZ2' HD22 ' A' ' 23' ' ' LEU . 32.6 t90 -46.9 -47.4 21.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 86.3 t -69.22 -58.9 4.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.7 mt -44.0 -47.28 8.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -67.13 -51.57 52.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.411 ' N ' HD11 ' A' ' 99' ' ' LEU . 44.8 m -47.07 -51.67 17.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -66.67 -52.14 48.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.571 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.472 ' CZ ' ' CG ' ' A' ' 95' ' ' MET . 3.9 tmm_? -42.91 -57.92 2.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.472 ' CG ' ' CZ ' ' A' ' 94' ' ' ARG . 8.2 mtm -83.23 -11.59 57.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 27.7 mtm-85 55.6 44.59 26.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -149.84 155.67 40.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -69.45 123.49 21.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.411 HD11 ' N ' ' A' ' 92' ' ' CYS . 62.3 mt -112.99 150.24 42.57 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.641 0.734 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 111.7 2.88 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.635 2.223 . . . . 0.0 112.397 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 80.4 p -61.81 -28.72 69.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -50.35 -34.1 22.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 -76.41 -24.87 54.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -107.5 32.73 4.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.8 mt -82.01 126.97 32.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.452 ' CG ' ' HG3' ' A' ' 85' ' ' ARG . 19.2 mtp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.923 0.392 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.426 ' HB3' ' C ' ' A' ' 47' ' ' GLU . 4.4 mm? -84.17 -41.85 16.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.82 -19.01 34.71 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.513 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -89.66 4.77 48.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.748 0.309 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.424 ' CD1' HD13 ' A' ' 19' ' ' LEU . 54.2 mt -93.39 -58.09 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.142 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.405 HD13 ' CD1' ' A' ' 48' ' ' LEU . 39.2 mt -110.88 41.94 1.71 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.954 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -68.08 105.02 1.92 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.956 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.6 29.89 5.15 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 99.8 t -125.48 147.85 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.891 0.377 . . . . 0.0 111.116 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 51' ' ' LYS . 96.6 t -128.61 115.09 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.423 ' HB ' ' CG1' ' A' ' 64' ' ' ILE . 16.5 m -103.59 163.99 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.7 t -139.54 131.47 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.5 mt -87.33 117.37 26.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.1 t -143.06 112.38 6.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.85 34.86 6.05 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -126.53 153.52 45.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.341 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -119.02 151.52 38.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.482 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.4 OUTLIER -88.75 162.85 37.45 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.595 0.712 . . . . 0.0 110.903 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.513 ' O ' ' C ' ' A' ' 37' ' ' PHE . 53.4 Cg_endo -69.76 -26.62 7.29 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.307 -0.06 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.513 ' C ' ' O ' ' A' ' 36' ' ' PRO . 7.5 t80 -29.17 -50.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 -49.15 -59.46 3.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.7 p -55.47 -37.6 67.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -61.98 -43.05 99.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.46 HD12 ' CG1' ' A' ' 89' ' ' VAL . 15.7 tp -60.86 -51.16 70.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -47.08 -51.74 16.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -49.36 -54.21 18.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 54.4 mttt -56.13 -42.75 77.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.41 -35.83 82.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 87.9 mt -66.18 -45.83 79.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.426 ' C ' ' HB3' ' A' ' 19' ' ' LEU . 3.4 mm-40 -49.59 -54.18 19.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.931 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.405 ' CD1' HD13 ' A' ' 23' ' ' LEU . 5.7 mt -53.19 -15.26 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 97.27 12.88 47.28 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.495 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.76 157.14 24.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 111.107 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.473 ' HB3' ' CG2' ' A' ' 27' ' ' VAL . 13.8 tppt? -91.1 155.3 18.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.472 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 6.6 t80 -122.36 117.07 25.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -120.03 143.29 35.08 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.644 0.735 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -23.2 31.2 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.742 2.294 . . . . 0.0 112.35 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -150.35 158.29 43.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.534 ' CZ3' ' HB3' ' A' ' 60' ' ' SER . 67.5 t-105 -60.65 120.49 10.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.422 ' OG1' ' N ' ' A' ' 58' ' ' ARG . 5.0 t -125.68 179.63 5.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.422 ' N ' ' OG1' ' A' ' 57' ' ' THR . 37.5 ttt85 -65.81 -15.48 62.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -91.56 -16.73 26.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.534 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 3.4 m -71.03 120.51 16.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 80.7 p -101.62 -39.08 7.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 28.3 m80 -129.81 140.92 50.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.613 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.488 ' HB2' ' CZ3' ' A' ' 56' ' ' TRP . 10.6 tp -107.79 120.91 43.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.423 ' CG1' ' HB ' ' A' ' 28' ' ' VAL . 9.3 mm -81.29 90.37 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 43.3 t -94.81 161.18 14.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.514 ' HB3' ' CD2' ' A' ' 67' ' ' PHE . . . -101.05 -38.03 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.514 ' CD2' ' HB3' ' A' ' 66' ' ' ALA . 1.8 p90 -160.67 153.9 21.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.86 -177.42 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.074 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 59.79 41.84 17.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.1 p -118.26 158.64 46.04 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.586 0.708 . . . . 0.0 111.124 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -29.66 23.55 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.658 2.239 . . . . 0.0 112.34 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.8 tptt -86.02 -28.21 24.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.557 ' CE1' HD12 ' A' ' 77' ' ' LEU . 16.3 t80 -61.4 -58.87 6.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.3 t -56.96 -50.04 73.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -47.89 -64.5 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.424 HG11 ' CZ3' ' A' ' 56' ' ' TRP . 40.1 t -59.63 -14.92 7.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.557 HD12 ' CE1' ' A' ' 73' ' ' TYR . 3.7 tt -76.51 -56.82 4.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.34 -35.32 90.06 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 25.9 mt -55.93 -39.21 71.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.822 0.344 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 115.94 36.21 1.17 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.86 172.37 15.79 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.464 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 13.7 ttm-85 -98.06 101.23 12.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 0.0 110.884 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.433 HD13 ' N ' ' A' ' 77' ' ' LEU . 21.6 mt -82.61 114.21 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.456 ' CG1' ' HA ' ' A' ' 105' ' ' LEU . 12.5 m -125.19 168.09 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.428 ' HD2' ' CG ' ' A' ' 106' ' ' MET . 0.4 OUTLIER -81.8 175.63 10.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -80.5 -12.45 59.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -70.25 -34.3 72.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 46.0 t90 -49.55 -70.93 0.07 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.517 ' CG1' ' N ' ' A' ' 90' ' ' LEU . 9.3 p -58.11 -50.46 78.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.157 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.517 ' N ' ' CG1' ' A' ' 89' ' ' VAL . 56.6 mt -47.7 -42.73 25.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -73.83 -56.71 4.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.835 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 13.8 m -38.29 -41.27 0.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -73.52 -57.02 4.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.621 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -42.45 -53.26 4.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 6.7 mtt -83.66 -19.58 35.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.41 ' C ' HD12 ' A' ' 22' ' ' ILE . 33.1 mtm180 61.54 42.35 11.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.9 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.413 ' HB3' ' NH1' ' A' ' 97' ' ' ARG . 3.0 ptp180 -142.13 165.11 28.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -85.12 120.33 26.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 46.3 mt -112.18 152.35 44.34 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.632 0.73 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 99.23 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.705 2.27 . . . . 0.0 112.337 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 105' ' ' LEU . 20.2 p -49.94 -29.63 8.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.469 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . 15.1 tm0? -52.91 -43.06 65.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 40.0 mtp180 -72.81 -7.53 51.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -120.78 -4.9 9.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.554 ' C ' ' CD1' ' A' ' 105' ' ' LEU . 0.3 OUTLIER -89.11 126.47 35.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.428 ' CG ' ' HD2' ' A' ' 85' ' ' ARG . 23.3 mtm . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.856 0.36 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.406 ' HB3' ' C ' ' A' ' 47' ' ' GLU . 4.4 mm? -75.89 -43.21 46.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.65 -20.8 53.29 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -84.17 0.85 47.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.776 0.322 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 59.1 mt -88.56 -57.31 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.7 mt -111.28 42.92 1.57 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.6 tp60 -63.76 118.15 7.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.62 34.44 16.15 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.532 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.6 t -123.65 147.33 28.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.348 . . . . 0.0 111.14 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.0 t -124.62 118.79 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.3 m -108.61 139.63 30.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.5 t -116.14 123.27 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.107 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.4 mt -83.33 129.6 35.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.2 m -153.7 105.7 2.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.48 33.24 3.42 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.539 ' CZ ' ' CD2' ' A' ' 41' ' ' LEU . 72.4 m-85 -123.0 154.76 38.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.796 0.331 . . . . 0.0 110.851 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -136.77 121.01 17.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.949 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.526 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 1.4 p-10 -50.75 154.23 2.49 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.659 0.743 . . . . 0.0 110.847 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.9 Cg_endo -69.75 -25.35 8.07 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.328 -0.095 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' PRO . 20.7 t80 -37.97 -53.44 1.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.3 ttt85 -50.05 -61.38 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.9 p -54.35 -56.7 15.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -46.99 -38.55 10.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.539 ' CD2' ' CZ ' ' A' ' 33' ' ' PHE . 34.4 tp -66.59 -44.98 80.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -53.07 -60.9 2.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -40.89 -58.0 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -50.19 -46.6 54.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.14 -33.35 72.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.121 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 45.4 mt -68.84 -45.15 71.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.406 ' C ' ' HB3' ' A' ' 19' ' ' LEU . 6.1 mm-40 -50.66 -53.8 28.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.9 mt -53.64 -18.49 3.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.65 19.35 22.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.507 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.5 143.17 27.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.87 0.367 . . . . 0.0 111.123 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.87 133.24 33.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -99.51 115.75 30.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -108.44 143.97 28.56 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.621 0.724 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -22.43 31.97 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.694 2.263 . . . . 0.0 112.332 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -153.47 158.81 41.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.452 ' CH2' HG11 ' A' ' 76' ' ' VAL . 64.2 t-105 -60.32 131.47 50.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.6 t -137.08 172.69 12.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 -65.24 -11.03 36.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -96.06 -14.22 23.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.2 m -72.78 131.58 42.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 38.1 p -107.29 -45.85 4.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.18 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.407 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 38.7 m80 -120.89 165.22 15.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.608 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.2 tp -131.23 129.62 41.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.96 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 22.1 mm -96.55 90.87 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 34.2 t -93.28 140.87 29.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.83 -35.35 32.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -162.0 155.06 20.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.36 -179.34 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 65.15 33.91 9.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.94 158.51 33.35 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.624 0.726 . . . . 0.0 111.129 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -24.59 29.59 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.662 2.241 . . . . 0.0 112.35 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -90.06 -21.94 22.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -67.81 -39.22 83.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.5 m -82.96 -11.82 57.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 16.5 tp60 -85.16 -50.1 7.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.452 HG11 ' CH2' ' A' ' 56' ' ' TRP . 40.1 t -75.6 -14.96 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 50.5 tp -72.82 -49.93 27.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.9 -41.05 95.65 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 23.0 mt -55.65 -47.62 76.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.825 0.345 . . . . 0.0 110.914 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 120.74 24.48 2.56 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.457 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -88.96 159.11 28.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.459 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.407 ' HG2' ' CD2' ' A' ' 62' ' ' HIS . 21.2 tpp180 -79.52 100.07 7.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.788 0.327 . . . . 0.0 110.889 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 23.0 mt -88.34 114.21 26.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.116 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 11.7 m -130.25 162.76 37.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.112 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -76.99 -176.57 4.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -83.01 -35.59 25.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -43.48 -24.39 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.429 ' CE2' ' HB3' ' A' ' 101' ' ' SER . 23.5 t90 -60.82 -53.22 60.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 82.1 t -66.17 -54.46 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.157 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 48.2 mt -47.49 -55.85 8.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -58.39 -45.7 87.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.483 ' O ' ' N ' ' A' ' 96' ' ' ARG . 9.6 m -54.95 -60.15 3.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -56.49 -53.68 54.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.614 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -44.53 -59.09 2.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 26.4 mtm -83.44 -1.7 54.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 92' ' ' CYS . 90.6 mtt180 44.62 44.81 7.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -141.53 157.52 45.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 43.3 ttt85 -79.78 107.27 12.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 50.5 mt -97.1 151.57 37.79 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.654 0.74 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 107.99 1.98 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.681 2.254 . . . . 0.0 112.342 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.429 ' HB3' ' CE2' ' A' ' 88' ' ' TRP . 70.4 p -67.98 -10.49 53.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -69.94 -28.14 65.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -81.08 -2.82 49.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -119.76 21.04 12.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 24.6 mt -71.27 132.74 45.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.949 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.3 mtt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.831 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.916 0.389 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.423 ' HB3' ' C ' ' A' ' 47' ' ' GLU . 4.6 mm? -74.54 -44.75 49.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.16 -18.51 35.06 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.451 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -86.54 1.37 51.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.724 0.297 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.408 HD13 ' C ' ' A' ' 96' ' ' ARG . 59.2 mt -90.31 -58.37 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.423 HD11 ' CD1' ' A' ' 48' ' ' LEU . 16.7 mt -106.28 39.72 1.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.6 tp60 -64.59 110.52 2.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.81 31.08 7.96 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.52 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.8 t -121.89 145.64 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.874 0.369 . . . . 0.0 111.084 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.2 t -126.57 114.42 37.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.4 m -109.03 153.69 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 55.2 t -128.32 132.22 68.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.109 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 58.8 mt -83.41 126.15 32.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.6 p -146.8 110.16 4.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.56 42.15 5.22 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.43 ' CZ ' HG23 ' A' ' 64' ' ' ILE . 63.2 m-85 -129.31 156.94 43.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.877 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -142.88 134.07 25.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.519 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -57.44 153.97 25.73 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.636 0.731 . . . . 0.0 110.859 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.8 Cg_endo -69.76 -30.99 4.83 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.33 -0.053 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.449 ' C ' ' O ' ' A' ' 36' ' ' PRO . 15.3 t80 -34.5 -59.34 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -47.12 -48.76 22.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.0 m -63.85 -58.4 6.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -46.75 -56.64 5.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.0 tp -44.7 -55.74 5.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.56 ' HD3' ' CD2' ' A' ' 52' ' ' TYR . 13.9 ttm105 -51.5 -50.79 59.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.8 -52.04 35.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.452 ' HG2' ' ND1' ' A' ' 93' ' ' HIS . 62.6 mttt -60.86 -43.71 98.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.51 -39.91 85.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 68.2 mt -61.77 -48.51 80.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.423 ' C ' ' HB3' ' A' ' 19' ' ' LEU . 4.0 mm-40 -48.18 -52.28 21.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.423 ' CD1' HD11 ' A' ' 23' ' ' LEU . 35.2 mt -50.48 -24.29 3.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.34 20.78 10.6 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.549 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.41 153.07 18.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.348 . . . . 0.0 111.134 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.417 ' N ' ' HD3' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -91.6 141.74 28.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.56 ' CD2' ' HD3' ' A' ' 42' ' ' ARG . 3.4 t80 -106.98 125.47 51.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.955 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -121.64 144.25 40.08 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.622 0.725 . . . . 0.0 110.829 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -37.83 8.58 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.675 2.25 . . . . 0.0 112.336 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -134.81 156.45 48.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.818 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.542 ' CZ3' ' HB3' ' A' ' 60' ' ' SER . 29.1 t-105 -46.84 125.88 7.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 25.2 p -117.8 166.99 11.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.144 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -70.1 -12.41 61.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.58 -2.14 31.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.542 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 2.3 m -66.92 118.43 10.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 71.3 p -97.97 -45.92 6.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -124.74 144.16 50.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.552 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.401 ' HB2' ' CZ3' ' A' ' 56' ' ' TRP . 20.9 tp -112.16 116.84 31.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.43 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 25.6 mm -83.87 92.53 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.17 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 47.8 t -96.98 133.71 41.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.462 ' HB3' ' CD2' ' A' ' 67' ' ' PHE . . . -70.18 -40.54 74.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.462 ' CD2' ' HB3' ' A' ' 66' ' ' ALA . 1.1 p90 -157.72 149.34 21.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.93 -179.18 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 64.3 45.92 3.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -121.65 158.85 53.0 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.539 0.685 . . . . 0.0 111.171 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -20.01 35.3 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.645 2.23 . . . . 0.0 112.346 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -91.95 -33.68 14.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 73' ' ' TYR . 0.4 OUTLIER -62.84 -40.06 96.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.1 t -74.62 -35.02 62.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.817 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -65.94 -45.01 83.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.442 HG13 ' CZ2' ' A' ' 56' ' ' TRP . 39.6 t -78.46 -15.04 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 49.6 tp -74.93 -40.49 60.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -75.09 -40.39 34.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.0 mt -55.9 -52.72 63.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 128.42 27.39 0.9 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.485 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -90.64 160.08 27.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.493 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.471 ' HA ' ' CZ ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -80.6 98.63 7.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.763 0.316 . . . . 0.0 110.82 -179.839 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 43.1 mt -85.46 108.96 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.084 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 16.0 m -125.55 159.82 32.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 -73.36 -176.24 2.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -85.11 -33.55 22.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -47.05 -30.71 2.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.413 ' CZ2' HD22 ' A' ' 23' ' ' LEU . 42.4 t90 -53.17 -69.1 0.12 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.95 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.507 ' CG1' ' N ' ' A' ' 90' ' ' LEU . 9.0 p -61.92 -51.41 72.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.101 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.507 ' N ' ' CG1' ' A' ' 89' ' ' VAL . 57.7 mt -44.95 -49.76 10.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -71.92 -49.2 39.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.814 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 19.5 m -41.97 -44.49 3.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.452 ' ND1' ' HG2' ' A' ' 44' ' ' LYS . 48.5 t-80 -69.25 -60.99 1.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.602 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.2 tpm_? -39.95 -60.52 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 7.0 mtm -74.13 -13.8 60.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 93' ' ' HIS . 59.3 mtt85 55.28 42.27 30.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -141.94 165.77 26.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 58.5 ttt-85 -90.22 111.65 22.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 64.9 mt -97.32 147.94 33.7 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.65 0.738 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 117.71 5.24 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.717 2.278 . . . . 0.0 112.361 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.1 t -63.61 -28.89 70.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -52.07 -26.66 11.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 19.2 mtt-85 -81.57 -27.26 34.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -106.81 34.75 3.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.2 mt -81.13 116.47 21.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.9 mtp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.889 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.4 t -146.39 132.2 19.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 110.88 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.9 p -87.75 147.19 25.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.73 107.08 3.13 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -146.59 113.45 6.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.882 0.372 . . . . 0.0 110.86 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.0 t -155.6 145.16 21.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.817 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.65 104.61 0.2 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.474 ' CG ' ' HD2' ' A' ' 9' ' ' PRO . 10.3 tt0 -167.47 140.53 2.81 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.652 0.739 . . . . 0.0 110.88 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 8' ' ' GLU . 53.5 Cg_endo -69.75 120.68 7.43 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.638 2.225 . . . . 0.0 112.351 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -102.52 164.22 11.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.25 157.13 24.75 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.619 0.723 . . . . 0.0 110.85 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -32.6 18.37 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.702 2.268 . . . . 0.0 112.349 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -45.88 164.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.65 86.8 2.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.38 -158.7 0.44 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 0.58 5.42 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.712 2.274 . . . . 0.0 112.33 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -69.57 -45.9 67.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -68.96 -42.14 77.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.408 ' CD2' ' CD2' ' A' ' 93' ' ' HIS . 4.9 mp -67.56 -40.12 84.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.83 -18.14 38.26 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.437 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.2 mmtt -90.17 0.03 57.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.777 0.323 . . . . 0.0 110.944 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.8 mt -83.84 -56.23 5.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.45 HD21 ' CZ2' ' A' ' 88' ' ' TRP . 28.3 mt -105.31 33.37 3.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.917 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -61.81 108.56 1.03 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.52 21.68 12.47 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.41 ' CG1' ' N ' ' A' ' 27' ' ' VAL . 78.9 t -118.68 155.51 20.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.868 0.366 . . . . 0.0 111.091 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.41 ' N ' ' CG1' ' A' ' 26' ' ' VAL . 7.2 t -131.77 114.71 25.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.3 m -104.37 142.14 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.4 t -118.69 126.93 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.471 HD13 ' CE1' ' A' ' 52' ' ' TYR . 68.5 mt -83.3 127.45 33.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.0 m -141.08 124.17 16.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.26 46.32 34.96 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.401 ' CD2' HD21 ' A' ' 30' ' ' LEU . 64.1 m-85 -128.33 140.0 52.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.89 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -130.21 132.14 45.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.497 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -57.48 160.67 6.92 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.589 0.709 . . . . 0.0 110.912 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.8 Cg_endo -69.75 -17.24 12.02 Favored 'Cis proline' 0 C--O 1.231 0.169 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.35 -0.059 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -50.23 -50.7 48.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -51.15 -43.97 61.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.7 m -67.64 -51.39 50.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -54.12 -49.75 68.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 34.0 tp -55.86 -51.57 67.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -50.84 -61.63 2.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -41.19 -61.49 1.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -45.27 -48.55 12.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.8 -37.85 71.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 68.2 mt -66.47 -43.94 84.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -52.53 -52.57 54.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.9 mt -53.88 -19.34 4.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.48 22.45 19.01 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.501 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.5 150.66 20.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.887 0.375 . . . . 0.0 111.087 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -85.39 132.83 34.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.471 ' CE1' HD13 ' A' ' 30' ' ' LEU . 3.6 t80 -106.11 112.32 25.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 -106.65 143.88 27.91 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.599 0.714 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -9.74 26.85 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.4 ' CG ' ' N ' ' A' ' 56' ' ' TRP . 2.0 t70 -163.62 163.84 24.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.535 ' CH2' HG13 ' A' ' 76' ' ' VAL . 64.9 t-105 -56.44 121.4 9.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.7 p -114.73 162.14 17.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.192 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -65.25 -15.8 62.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.827 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -97.88 -3.73 38.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.5 m -65.92 127.3 31.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 48.8 p -103.96 -35.2 8.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 59.5 m80 -134.12 149.64 51.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.6 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.418 HD21 ' CG2' ' A' ' 76' ' ' VAL . 18.9 tp -118.52 127.55 53.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.405 HD12 ' CG2' ' A' ' 89' ' ' VAL . 25.9 mm -94.5 105.4 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 42.4 t -104.76 145.04 30.91 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.485 ' HB1' ' CD2' ' A' ' 67' ' ' PHE . . . -90.34 -26.51 19.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.089 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.485 ' CD2' ' HB1' ' A' ' 66' ' ' ALA . 1.5 p90 -168.59 147.45 4.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.44 -177.04 0.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 43.6 m-20 62.83 34.36 14.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -110.84 159.66 31.64 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.591 0.71 . . . . 0.0 111.128 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -39.72 6.17 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.715 2.277 . . . . 0.0 112.322 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -76.2 -10.66 59.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.441 ' CZ ' HD13 ' A' ' 77' ' ' LEU . 19.1 t80 -75.53 -57.51 3.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.0 t -63.81 -36.27 83.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.849 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -54.4 -60.01 3.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.535 HG13 ' CH2' ' A' ' 56' ' ' TRP . 39.6 t -69.58 -14.99 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.121 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.441 HD13 ' CZ ' ' A' ' 73' ' ' TYR . 6.3 tt -71.8 -50.65 27.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.83 -32.95 78.71 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.674 -0.775 . . . . 0.0 112.506 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 39.7 mt -61.36 -47.88 83.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.832 0.349 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 123.42 14.16 4.07 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -78.84 155.82 41.45 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.492 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -79.53 100.55 7.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.789 0.328 . . . . 0.0 110.898 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 44.9 mt -88.59 114.91 27.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 12.2 m -127.41 174.04 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.142 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -91.47 170.42 9.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 43.7 pttt -71.07 -33.25 70.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -43.42 -27.03 0.23 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.45 ' CZ2' HD21 ' A' ' 23' ' ' LEU . 28.3 t90 -64.62 -46.75 81.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.405 ' CG2' HD12 ' A' ' 64' ' ' ILE . 60.0 t -72.03 -46.98 57.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.093 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 62.0 mt -54.77 -47.87 73.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.421 ' HB3' ' CD1' ' A' ' 99' ' ' LEU . 1.2 m-20 -68.27 -38.17 81.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 96' ' ' ARG . 6.1 m -60.83 -49.5 77.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.408 ' CD2' ' CD2' ' A' ' 19' ' ' LEU . 48.8 t-80 -69.44 -53.6 18.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.628 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -49.23 -41.9 38.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 6.0 mtm -98.84 -4.19 33.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 92' ' ' CYS . 28.8 mtm180 43.17 43.9 4.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -141.62 163.04 34.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 25.9 ttt-85 -82.61 116.07 21.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.421 ' CD1' ' HB3' ' A' ' 91' ' ' ASP . 45.1 mt -109.5 148.57 38.37 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.582 0.706 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 112.87 3.19 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.246 . . . . 0.0 112.329 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.6 m -67.13 -22.64 65.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.833 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -54.13 -40.52 67.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -67.72 -21.69 65.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -108.44 24.93 12.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.962 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 8.6 mt -69.89 124.3 23.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 6.2 mtp -88.36 -46.44 9.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -124.3 176.74 6.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.094 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 83.1 147.5 7.18 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.444 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -20.68 34.54 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.694 2.263 . . . . 0.0 112.327 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 143.74 160.69 8.55 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.496 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 55.1 p -49.27 118.68 2.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.891 0.377 . . . . 0.0 110.891 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 96.0 p -87.89 48.5 1.65 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.6 m 45.96 44.61 11.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -101.84 87.77 3.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -106.56 156.54 18.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -101.0 146.58 27.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -104.14 -43.97 5.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -144.88 114.92 7.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 78.9 p -117.24 162.26 18.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -105.82 157.52 17.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.615 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 38.5 m -143.25 178.48 7.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.898 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 175.21 -165.2 36.1 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.464 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 72.05 70.66 1.17 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.517 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.3 m -81.49 44.11 0.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.93 0.395 . . . . 0.0 110.87 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -162.74 83.44 0.11 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.503 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 2.8 3.21 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.353 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 59.7 p -93.51 83.0 4.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 44.5 m -59.63 87.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.503 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.2 t -159.92 145.98 15.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 110.882 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.7 p -172.43 177.33 3.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.09 153.38 9.78 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.6 p -122.42 121.0 35.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.893 0.378 . . . . 0.0 110.842 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.6 p -123.61 133.63 53.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.66 89.54 0.34 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -117.88 66.18 5.49 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.712 0.768 . . . . 0.0 110.919 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 166.75 26.55 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.704 2.269 . . . . 0.0 112.309 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.31 170.09 7.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -113.41 154.14 45.49 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.582 0.706 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -25.67 28.43 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.315 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -106.01 177.79 4.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.8 43.69 0.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.38 146.25 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.491 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -3.77 12.67 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.72 2.28 . . . . 0.0 112.327 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -78.05 -50.69 11.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -46.72 -33.48 4.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.401 ' HB3' ' C ' ' A' ' 47' ' ' GLU . 4.4 mm? -80.21 -46.61 16.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.94 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.57 -9.97 10.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.2 mmtm -96.95 2.11 51.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.753 0.311 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.3 mt -93.29 -58.81 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.9 mt -104.87 41.49 1.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -67.73 107.45 2.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.78 26.65 11.38 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.2 t -120.12 135.54 60.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.916 0.388 . . . . 0.0 111.149 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.0 t -113.3 113.07 42.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.2 m -102.69 150.93 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 51.5 t -126.73 125.79 67.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.1 mt -87.44 124.42 33.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.3 t -145.5 145.12 30.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 54.68 53.65 37.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.494 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.445 ' CZ ' HG21 ' A' ' 64' ' ' ILE . 41.6 m-85 -127.4 166.35 18.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.885 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -109.51 179.31 4.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.492 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.6 OUTLIER -133.3 160.72 67.51 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.667 0.746 . . . . 0.0 110.867 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 54.1 Cg_endo -69.77 -2.42 7.15 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.377 -0.061 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.474 ' N ' ' HA ' ' A' ' 35' ' ' ASN . 23.0 t80 -33.22 -46.47 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -41.91 -56.98 2.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.5 t -53.9 -54.74 34.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -47.5 -48.08 27.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 30.7 tp -65.47 -40.53 93.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.949 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.3 ttp180 -60.54 -58.97 6.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -41.99 -55.61 3.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 52.6 mttt -52.1 -47.46 65.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.45 -31.25 71.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.2 mt -69.82 -48.72 57.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.401 ' C ' ' HB3' ' A' ' 19' ' ' LEU . 12.5 mm-40 -54.96 -46.02 74.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.3 mt -57.14 -14.41 3.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.27 30.19 12.94 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.456 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.91 151.24 25.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.342 . . . . 0.0 111.102 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.1 mttm -89.72 135.22 33.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -104.4 111.21 23.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -103.83 143.47 26.71 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.579 0.704 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -12.39 32.83 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.654 2.236 . . . . 0.0 112.367 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -163.42 164.2 24.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.524 ' CZ3' ' HB3' ' A' ' 60' ' ' SER . 41.0 t-105 -61.09 127.2 30.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.2 p -124.67 -177.9 3.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.5 ptt85 -78.42 -5.5 52.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -105.85 -13.1 15.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.524 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 1.8 m -65.4 129.98 41.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 67.8 p -103.99 -44.46 5.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -123.85 152.96 41.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 1.147 . . . . 0.0 109.585 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.435 ' HB2' ' CZ3' ' A' ' 56' ' ' TRP . 7.1 tp -120.51 113.91 20.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.445 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 27.5 mm -80.9 111.85 18.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.082 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 8.3 t -113.71 151.95 31.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.53 -28.75 21.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.524 ' CD1' ' N ' ' A' ' 67' ' ' PHE . 0.0 OUTLIER -170.36 170.11 7.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -83.21 -176.41 6.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.6 m120 64.45 33.36 11.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -114.84 160.4 33.68 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.555 0.693 . . . . 0.0 111.16 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 -48.15 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.671 2.248 . . . . 0.0 112.394 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.9 mmtm -70.33 -14.16 62.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -72.48 -46.01 56.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.7 t -84.37 -26.91 28.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -58.77 -41.89 87.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 38.5 t -86.34 -14.86 10.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.6 tp -72.23 -40.89 67.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.67 -28.99 70.07 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.485 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 70.6 mt -70.71 -52.21 22.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.87 0.367 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 128.6 24.86 1.08 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.514 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -86.17 167.18 39.34 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -87.27 96.18 10.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.788 0.328 . . . . 0.0 110.898 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 28.1 mt -86.61 111.31 21.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.089 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 11.2 m -131.39 167.96 25.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 80.6 mtt180 -81.29 177.06 9.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 88' ' ' TRP . 6.0 ptmm? -75.75 -39.96 56.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 86' ' ' LYS . 5.5 mm-40 -35.93 -32.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.467 ' N ' ' O ' ' A' ' 86' ' ' LYS . 23.2 t90 -55.75 -58.28 8.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 62.8 t -62.63 -53.59 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 53.5 mt -49.89 -60.67 2.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -55.74 -45.64 77.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 4.3 m -54.06 -47.55 71.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -67.01 -55.38 14.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.646 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -44.78 -51.95 8.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 8.7 mtm -86.38 -8.81 57.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.9 mtm-85 50.33 40.76 23.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.83 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -140.43 162.48 35.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 26.7 ttt-85 -81.48 118.53 22.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 65.2 mt -107.87 148.91 38.31 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.585 0.707 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 101.38 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.359 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 99.7 p -63.69 -9.57 14.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -71.2 -11.0 60.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 38.0 mtt180 -95.63 -18.83 20.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -99.7 -1.51 37.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 26.7 mt -52.53 135.98 33.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.94 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.4 mtm -107.33 -37.78 6.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -66.06 123.94 21.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.096 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 60.15 146.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.481 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 86.93 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.676 2.25 . . . . 0.0 112.357 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 59.66 155.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 21.1 m -82.58 103.84 12.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.9 0.381 . . . . 0.0 110.876 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.1 t -108.41 -59.2 1.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.6 p -66.74 -43.95 82.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -105.48 85.14 2.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.841 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -72.05 157.41 37.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -39.29 137.2 0.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -66.68 -42.94 85.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 42.39 48.18 4.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.131 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 120' ' ' HIS . 58.3 m -107.57 92.84 4.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.438 ' C ' ' O ' ' A' ' 119' ' ' SER . 17.5 p80 -37.2 -35.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.624 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.41 ' N ' ' C ' ' A' ' 119' ' ' SER . 89.3 p -93.51 119.78 32.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.881 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -178.76 -141.27 4.29 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.461 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -121.85 56.55 0.63 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.473 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 75.3 m -103.5 141.91 35.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.924 0.393 . . . . 0.0 110.856 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 112.82 147.38 10.09 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.517 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -12.49 32.9 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.691 2.261 . . . . 0.0 112.319 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 22.8 m 45.24 47.08 10.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.892 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 14.0 m -115.41 175.13 5.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.5 m -59.75 142.26 53.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.88 0.372 . . . . 0.0 110.857 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.4 p -98.14 41.07 1.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.847 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.33 -158.99 13.95 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.49 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.7 m -144.48 134.98 24.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.897 0.38 . . . . 0.0 110.864 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.8 m -55.46 -59.85 4.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.4 168.29 14.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.517 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -151.35 144.04 16.67 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.656 0.741 . . . . 0.0 110.895 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 175.29 8.32 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.706 2.271 . . . . 0.0 112.285 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 39.0 mmt-85 -92.77 -22.61 19.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -83.77 134.06 45.17 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.636 0.732 . . . . 0.0 110.849 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 0.12 6.06 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.712 2.274 . . . . 0.0 112.364 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -38.54 113.87 0.33 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.937 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -103.58 131.68 50.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.7 -167.72 35.08 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.501 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -3.01 11.18 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.633 2.222 . . . . 0.0 112.364 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -87.41 -38.59 16.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -55.33 -34.03 63.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -60.03 -52.75 64.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.33 -17.56 32.44 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -87.35 -9.5 54.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.786 0.327 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 30.4 mt -78.62 -59.11 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.9 mt -105.55 39.52 1.74 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -66.3 118.19 9.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.08 14.99 63.47 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.442 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.9 t -109.05 149.44 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.378 . . . . 0.0 111.099 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.8 t -127.73 128.24 69.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.2 m -116.35 162.18 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 81.4 t -140.96 131.85 27.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.1 mt -88.46 121.19 30.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.3 t -148.15 105.63 3.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.57 20.26 8.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.504 ' CE2' HG21 ' A' ' 64' ' ' ILE . 56.8 m-85 -119.13 159.37 24.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.851 0.358 . . . . 0.0 110.817 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -135.32 129.33 33.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.573 ' ND2' ' HE ' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -56.36 160.66 4.86 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.671 0.748 . . . . 0.0 110.866 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 54.1 Cg_endo -69.73 -3.58 7.74 Favored 'Cis proline' 0 C--N 1.342 0.206 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.354 -0.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.446 ' N ' ' HA ' ' A' ' 35' ' ' ASN . 2.6 t80 -49.51 -60.68 2.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.573 ' HE ' ' ND2' ' A' ' 35' ' ' ASN . 21.3 ptt85 -52.31 -44.34 65.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.821 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.44 ' N ' ' CG ' ' A' ' 38' ' ' ARG . 1.3 t -60.98 -31.89 71.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.824 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -76.39 -49.54 16.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.1 mt -53.1 -46.79 68.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.6 ttp180 -56.07 -60.38 3.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -42.94 -57.59 2.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.482 ' HZ3' ' CE1' ' A' ' 93' ' ' HIS . 67.8 mttm -59.84 -43.76 94.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.0 -32.09 63.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 66.7 mt -68.89 -41.3 78.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -54.57 -51.87 63.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.9 mt -54.49 -16.22 2.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.41 30.34 12.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.484 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.72 152.8 22.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.839 0.352 . . . . 0.0 111.115 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.02 141.29 28.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -112.09 109.26 18.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -103.07 143.06 25.85 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.588 0.708 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -19.12 36.62 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.68 2.253 . . . . 0.0 112.327 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -153.4 154.5 34.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.427 ' CH2' HG13 ' A' ' 76' ' ' VAL . 74.8 t-105 -60.29 125.98 25.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.5 t -131.72 171.44 13.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.117 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -63.17 -10.17 14.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.832 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -96.74 -17.74 20.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.814 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.1 m -71.16 123.34 21.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.432 ' OG1' ' ND1' ' A' ' 62' ' ' HIS . 20.6 p -95.6 -58.08 2.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.187 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.432 ' ND1' ' OG1' ' A' ' 61' ' ' THR . 34.8 m80 -109.88 141.85 42.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.587 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.5 tp -110.52 131.73 54.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.504 HG21 ' CE2' ' A' ' 33' ' ' PHE . 7.0 mm -96.97 107.21 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.089 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 6.1 t -111.13 151.26 28.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.486 ' HB1' ' CD2' ' A' ' 67' ' ' PHE . . . -87.38 -36.51 17.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.486 ' CD2' ' HB1' ' A' ' 66' ' ' ALA . 2.2 p90 -156.95 163.73 38.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.2 -178.1 4.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.157 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 61.75 46.01 7.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.846 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.9 158.84 48.96 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.548 0.69 . . . . 0.0 111.16 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -29.55 23.66 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.667 2.245 . . . . 0.0 112.362 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.42 -18.57 31.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.569 ' CE1' HD11 ' A' ' 77' ' ' LEU . 33.1 t80 -73.27 -52.51 13.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.7 m -60.5 -45.05 95.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -50.88 -68.81 0.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.427 HG13 ' CH2' ' A' ' 56' ' ' TRP . 42.3 t -55.89 -14.92 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.117 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.569 HD11 ' CE1' ' A' ' 73' ' ' TYR . 3.1 tt -71.19 -48.56 50.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -73.96 -38.87 47.78 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 22.4 mt -51.24 -54.31 27.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.954 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 129.98 21.93 1.18 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -87.65 169.7 39.39 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -98.63 97.06 8.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.809 0.338 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 19.4 mt -82.44 120.54 34.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 2.7 m -130.18 174.57 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -84.98 175.6 8.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.7 ptpt -73.31 -38.89 65.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -41.09 -32.7 0.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -46.34 -57.63 4.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.458 ' CG2' HD12 ' A' ' 64' ' ' ILE . 40.3 t -68.9 -63.22 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 89' ' ' VAL . 51.8 mt -37.33 -50.18 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 92' ' ' CYS . 30.5 m-20 -71.54 -65.17 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 91' ' ' ASP . 9.2 m -35.08 -36.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.482 ' CE1' ' HZ3' ' A' ' 44' ' ' LYS . 54.5 t-80 -79.1 -59.65 2.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.619 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -42.18 -54.99 3.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 33.4 mtm -82.23 -8.53 59.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 46.6 mtm180 50.41 43.89 26.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -143.9 158.5 43.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 14.7 ttt180 -83.09 118.07 23.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 67.5 mt -104.16 148.7 36.33 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.572 0.701 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 100.49 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.686 2.258 . . . . 0.0 112.342 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 m -57.09 -18.61 15.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.459 ' HA ' ' CD1' ' A' ' 105' ' ' LEU . 44.8 mt-30 -59.93 -13.19 9.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -93.9 -31.01 14.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -93.17 -2.24 55.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.459 ' CD1' ' HA ' ' A' ' 102' ' ' GLN . 18.1 mt -45.64 130.3 8.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 71.8 mtp -96.0 -49.13 5.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -95.27 159.62 14.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 89.42 147.9 17.26 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.49 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -22.09 32.76 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.689 2.26 . . . . 0.0 112.364 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 161.62 -110.86 0.45 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.3 p -78.92 92.56 4.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.832 0.349 . . . . 0.0 110.889 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 37.2 t -118.69 -53.19 2.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 89.5 p -100.78 42.44 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -70.48 83.1 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -75.23 177.17 6.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -43.23 141.18 1.32 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -112.0 17.33 19.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -85.02 85.93 7.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 84.7 p -129.35 163.46 25.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -143.33 -178.85 6.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.604 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 54.1 p -95.65 -33.27 12.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.966 -1.016 . . . . 0.0 110.854 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 67.73 -159.56 50.63 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -165.5 -155.03 8.39 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.436 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 58.7 m -41.65 136.76 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.937 0.399 . . . . 0.0 110.856 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -126.31 171.66 18.06 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.495 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 161.75 44.74 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.672 2.248 . . . . 0.0 112.333 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 50.9 m -68.08 132.5 47.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 65.9 p -72.28 -39.57 68.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.834 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.5 p -143.42 173.46 11.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.88 0.371 . . . . 0.0 110.87 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t 47.51 41.96 13.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 44.68 76.16 0.14 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.53 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.5 p -66.03 123.47 19.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 0.0 110.847 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.6 m -82.84 104.71 13.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.69 107.93 0.23 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -166.04 151.68 8.05 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.67 0.747 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 173.13 11.41 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.372 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 -125.53 -27.39 3.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.461 ' CG ' ' HD2' ' A' ' 12' ' ' PRO . 9.6 ttm180 -71.95 140.37 83.35 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.61 0.719 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.461 ' HD2' ' CG ' ' A' ' 11' ' ' ARG . 53.9 Cg_endo -69.73 116.39 4.54 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.697 2.265 . . . . 0.0 112.336 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -163.72 140.13 6.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.09 107.04 18.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -88.14 -159.15 34.3 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.497 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -0.15 6.49 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.693 2.262 . . . . 0.0 112.343 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -75.94 -54.66 6.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.839 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -56.79 -48.56 77.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.483 ' CD2' ' CD2' ' A' ' 93' ' ' HIS . 5.5 mp -70.39 -38.76 74.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.6 -15.54 26.07 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.462 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.422 ' NZ ' ' HA ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -94.7 5.28 52.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.762 0.315 . . . . 0.0 110.901 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 63.2 mt -89.21 -55.27 6.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.442 HD12 ' CD1' ' A' ' 48' ' ' LEU . 72.8 mt -111.76 42.61 1.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.898 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -64.91 107.79 1.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.65 28.86 7.68 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.8 t -119.94 147.64 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 0.0 111.129 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.9 t -124.91 120.8 59.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.7 m -112.58 146.25 17.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.102 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 67.6 t -125.85 121.45 59.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.135 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.414 HD12 ' CE1' ' A' ' 52' ' ' TYR . 88.4 mt -82.07 123.26 28.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.0 t -147.01 106.29 3.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.84 37.6 2.34 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.525 ' CE1' ' HB1' ' A' ' 66' ' ' ALA . 77.3 m-85 -130.42 161.2 31.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.792 0.329 . . . . 0.0 110.854 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -139.19 122.38 16.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.505 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 1.8 p30 -50.94 156.34 1.73 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.626 0.726 . . . . 0.0 110.921 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.5 Cg_endo -69.76 -24.71 8.42 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.332 -0.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' PRO . 7.5 t80 -37.03 -51.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -51.93 -49.64 62.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.8 t -62.73 -63.28 1.26 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -42.36 -49.87 5.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.81 -41.16 95.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.3 ttp180 -61.69 -43.49 98.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -52.69 -61.7 2.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -48.17 -45.3 33.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.83 -40.94 66.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 22.5 mt -68.31 -43.22 78.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.424 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 1.1 mp0 -53.31 -47.76 68.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.442 ' CD1' HD12 ' A' ' 23' ' ' LEU . 6.5 mt -60.91 -12.61 11.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.53 15.08 44.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.504 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.17 145.27 24.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.358 . . . . 0.0 111.07 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -87.2 133.71 33.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.414 ' CE1' HD12 ' A' ' 30' ' ' LEU . 4.0 t80 -102.73 113.28 26.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.2 mmt-85 -111.28 144.09 29.77 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.652 0.739 . . . . 0.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -34.55 14.51 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.668 2.245 . . . . 0.0 112.367 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.71 156.56 46.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.546 ' CH2' HG13 ' A' ' 76' ' ' VAL . 60.8 t-105 -53.68 107.59 0.27 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.401 ' N ' ' OG ' ' A' ' 60' ' ' SER . 5.8 p -94.97 166.87 11.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.105 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.4 ttt85 -61.47 -37.58 84.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -73.71 -15.68 61.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.529 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 70.8 m -42.89 120.67 1.84 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 73.9 p -110.05 -34.69 6.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.199 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.429 ' CD2' ' HB3' ' A' ' 82' ' ' ARG . 10.4 m80 -141.61 135.93 30.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.102 . . . . 0.0 109.578 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.459 HD23 ' CG2' ' A' ' 76' ' ' VAL . 14.3 tp -100.63 122.39 43.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.968 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.432 HD11 ' CG2' ' A' ' 89' ' ' VAL . 49.0 mm -87.31 93.36 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.161 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.7 t -95.86 163.85 12.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.525 ' HB1' ' CE1' ' A' ' 33' ' ' PHE . . . -110.01 -35.09 6.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' A' ' 67' ' ' PHE . 1.1 p90 -156.76 150.23 24.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.83 -179.89 1.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 46.9 m-20 65.92 29.59 10.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -105.45 156.23 36.69 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.627 0.727 . . . . 0.0 111.137 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -16.04 37.28 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.673 2.249 . . . . 0.0 112.305 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.7 tptt -97.38 -24.79 15.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -68.21 -37.92 81.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.7 t -84.62 -17.81 37.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -77.67 -46.03 23.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.546 HG13 ' CH2' ' A' ' 56' ' ' TRP . 39.9 t -75.95 -14.8 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.7 tp -74.47 -52.0 13.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.2 -34.56 74.12 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.461 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 25.3 mt -67.92 -62.49 1.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.356 . . . . 0.0 110.955 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 135.65 37.17 0.19 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.429 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -101.21 151.3 18.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.546 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.429 ' HB3' ' CD2' ' A' ' 62' ' ' HIS . 14.3 tpp180 -73.26 95.9 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.741 0.305 . . . . 0.0 110.854 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 18.2 mt -80.99 114.21 21.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 11.6 m -132.28 160.19 42.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -82.37 168.8 17.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 87' ' ' GLU . 25.9 pttm -62.67 -37.28 85.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 86' ' ' LYS . 29.7 mt-10 -36.23 -40.88 0.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 29.7 t90 -52.28 -56.22 16.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.925 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.432 ' CG2' HD11 ' A' ' 64' ' ' ILE . 89.2 t -63.31 -58.99 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 24.9 mt -43.0 -46.29 5.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.422 ' HB3' ' CD1' ' A' ' 99' ' ' LEU . 2.4 m-20 -71.31 -49.73 39.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 55.7 m -48.84 -45.32 40.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.483 ' CD2' ' CD2' ' A' ' 19' ' ' LEU . 59.2 t-80 -72.68 -58.13 3.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.615 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 35.4 ttt-85 -44.82 -33.0 1.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.847 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 9.1 mtm -104.16 -9.66 18.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 93' ' ' HIS . 15.4 mtm-85 49.45 45.94 23.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -150.06 175.08 12.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 23.8 mtm180 -89.0 127.58 35.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.422 ' CD1' ' HB3' ' A' ' 91' ' ' ASP . 66.0 mt -116.01 150.28 44.8 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.615 0.721 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 99.03 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.634 2.223 . . . . 0.0 112.35 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.3 m -53.34 -30.18 38.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.821 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.44 ' HA ' ' CD1' ' A' ' 105' ' ' LEU . 1.2 mp0 -48.5 -50.68 30.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 34.5 mtm180 -57.68 -20.07 31.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -112.75 38.05 2.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.44 ' CD1' ' HA ' ' A' ' 102' ' ' GLN . 14.1 mt -88.47 125.94 34.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.868 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 31.1 mtp -89.54 -57.05 3.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.0 143.97 57.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.11 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 50.36 179.92 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 110' ' ' GLY . 53.3 Cg_endo -69.82 -43.69 2.46 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.669 2.246 . . . . 0.0 112.316 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 109' ' ' PRO . . . 34.79 80.49 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.7 m -161.7 146.0 12.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 0.0 110.851 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.2 t -46.09 -48.39 17.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.848 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.9 m -50.94 -47.72 60.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -117.51 89.56 3.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -60.69 163.6 5.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.93 145.17 54.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.826 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -80.85 -58.54 3.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 119' ' ' SER . . . -49.19 -56.28 9.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 118' ' ' ALA . 2.9 t -35.81 127.9 0.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.446 ' CG ' ' O ' ' A' ' 120' ' ' HIS . 1.4 p80 -136.74 111.15 8.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.612 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.7 m -114.6 163.72 15.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.846 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 61.66 171.49 1.02 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.45 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -86.21 -136.17 4.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.476 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.6 t -120.4 149.16 42.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.948 0.404 . . . . 0.0 110.841 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 127.77 87.27 0.56 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.53 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -41.9 3.93 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.712 2.274 . . . . 0.0 112.38 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 128' ' ' SER . 6.4 m -156.91 133.25 9.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 127' ' ' SER . 2.0 t -34.74 135.08 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.514 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.0 m -157.73 167.25 30.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 110.868 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.8 p -150.05 164.82 34.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.36 115.6 0.93 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.454 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 t -159.23 124.97 4.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.864 0.364 . . . . 0.0 110.822 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 m -138.05 139.88 39.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.3 97.83 1.76 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -124.47 144.11 45.1 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.586 0.708 . . . . 0.0 110.914 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 150.72 68.42 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.665 2.244 . . . . 0.0 112.313 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -83.52 107.49 16.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.2 mmt-85 -134.41 144.06 49.45 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.663 0.744 . . . . 0.0 110.848 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 101.01 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.73 2.287 . . . . 0.0 112.342 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 68.7 mtm180 -128.37 139.44 52.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -102.11 40.87 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.52 146.2 1.15 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.522 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -3.78 12.72 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.667 2.245 . . . . 0.0 112.309 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -73.54 -46.74 45.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -52.48 -47.38 66.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.442 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 5.5 mp -83.75 -36.17 23.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.07 -9.89 24.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.461 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -104.36 7.71 35.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.442 ' CD1' ' HA ' ' A' ' 19' ' ' LEU . 88.1 mt -91.59 -59.07 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.1 mt -102.87 38.55 1.71 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -65.99 120.21 12.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.46 8.13 64.46 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.539 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 23.5 t -106.06 143.05 17.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.869 0.366 . . . . 0.0 111.152 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.3 t -124.57 117.12 49.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.173 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.2 m -106.93 163.79 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.7 t -136.5 126.27 39.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.151 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.6 mt -84.18 117.23 23.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.5 t -131.69 137.07 48.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 67.36 37.45 90.51 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.472 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.575 ' CE1' ' CD2' ' A' ' 41' ' ' LEU . 88.4 m-85 -120.19 141.45 49.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.843 0.354 . . . . 0.0 110.851 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -126.5 124.69 40.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.916 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.53 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 1.2 p30 -51.2 154.18 2.96 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.588 0.709 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 54.1 Cg_endo -69.68 -25.75 7.78 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.403 -0.161 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.448 ' C ' ' O ' ' A' ' 36' ' ' PRO . 6.3 t80 -34.67 -57.16 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -50.66 -42.16 56.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 36' ' ' PRO . 66.7 m -67.97 -57.87 5.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.839 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -50.36 -49.82 53.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.575 ' CD2' ' CE1' ' A' ' 33' ' ' PHE . 24.7 tp -57.49 -42.24 82.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -56.78 -60.09 4.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -44.03 -55.78 4.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.427 ' HG2' ' ND1' ' A' ' 93' ' ' HIS . 82.3 mttt -51.19 -45.31 61.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.12 -29.97 70.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.083 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.1 mt -72.84 -43.21 62.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -51.27 -51.85 50.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.0 mt -55.79 -18.05 7.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.96 20.67 25.38 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.455 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.69 151.01 20.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 111.088 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -92.44 124.52 36.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -94.61 112.88 24.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.4 mmp_? -106.61 143.74 27.63 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.617 0.722 . . . . 0.0 110.855 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -25.74 28.34 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.684 2.256 . . . . 0.0 112.32 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -140.42 155.99 46.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.519 ' CZ3' ' HB2' ' A' ' 63' ' ' LEU . 75.8 t-105 -62.44 89.4 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 t -83.55 158.53 21.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.9 ttm-85 -59.82 -13.49 10.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -89.56 -23.42 22.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.412 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 3.2 m -57.84 132.89 54.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 13.1 p -107.07 -38.94 5.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.114 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -126.14 141.62 51.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.578 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.519 ' HB2' ' CZ3' ' A' ' 56' ' ' TRP . 9.2 tp -110.76 133.67 53.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.422 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 33.1 mm -103.2 98.08 6.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 5.0 t -94.48 138.66 32.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.401 ' C ' ' CD1' ' A' ' 67' ' ' PHE . . . -69.76 -39.69 76.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 66' ' ' ALA . 0.8 OUTLIER -165.29 168.24 17.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.475 ' C ' ' CG ' ' A' ' 69' ' ' ASN . . . -68.27 -175.56 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.057 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.475 ' CG ' ' C ' ' A' ' 68' ' ' ALA . 0.2 OUTLIER 49.44 44.57 23.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.1 p -118.43 158.62 46.4 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.585 0.707 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -35.46 12.71 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.704 2.269 . . . . 0.0 112.354 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -81.49 -14.9 56.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -78.0 -41.26 36.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 t -90.49 -9.73 46.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.829 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -82.1 -36.29 27.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 43.3 t -90.07 -14.84 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.9 tp -71.5 -51.31 24.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.84 -36.2 89.21 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.515 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.9 mt -65.96 -42.07 90.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.868 0.366 . . . . 0.0 110.927 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 113.52 35.32 1.6 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.481 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -95.1 167.68 26.7 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -88.66 95.07 10.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.762 0.315 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 18.8 mt -86.85 114.69 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.7 m -132.07 147.8 32.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 41.2 mtt85 -60.72 170.82 1.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 88' ' ' TRP . 49.5 pttt -75.24 -35.03 61.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -38.65 -26.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.489 ' N ' ' O ' ' A' ' 86' ' ' LYS . 16.0 t90 -62.15 -60.35 3.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 93.1 t -59.21 -43.1 88.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.121 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.406 ' N ' HD23 ' A' ' 90' ' ' LEU . 4.1 mm? -53.24 -56.08 19.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 93' ' ' HIS . 7.3 m-20 -59.14 -63.05 1.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.447 ' C ' ' O ' ' A' ' 91' ' ' ASP . 81.6 m -34.57 -33.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.483 ' N ' ' O ' ' A' ' 91' ' ' ASP . 31.3 t-80 -87.16 -58.65 2.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.592 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -38.41 -44.08 0.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.448 ' CE ' ' HB3' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -99.1 -25.13 14.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.3 mtt85 70.89 35.61 1.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.1 ptp85 -131.93 165.52 23.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 24.6 ttt85 -83.03 123.23 29.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 26.0 mt -119.0 150.21 48.28 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.587 0.708 . . . . 0.0 110.946 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 129.49 17.71 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.716 2.278 . . . . 0.0 112.358 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.9 t -83.49 -12.45 56.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.461 ' HA ' ' CD1' ' A' ' 105' ' ' LEU . 17.9 pt20 -69.24 -26.07 64.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.948 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 38.4 mtp180 -80.6 -22.7 40.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -98.83 -5.18 31.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.461 ' CD1' ' HA ' ' A' ' 102' ' ' GLN . 14.4 mt -46.14 131.72 10.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.1 mtp -89.6 -63.85 1.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -82.7 176.33 9.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 63.46 153.92 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -38.46 7.72 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.707 2.271 . . . . 0.0 112.355 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 160.19 -152.72 23.58 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.442 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 36.6 m -108.33 73.49 0.88 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.868 0.366 . . . . 0.0 110.86 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.3 t -93.76 83.21 4.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 67.1 m 62.72 39.96 10.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -113.9 78.37 1.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -104.69 128.01 52.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -63.24 149.97 44.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -69.35 -50.69 44.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -163.12 106.83 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.091 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.0 m -64.23 158.39 23.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -95.96 148.5 22.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.561 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.1 m -120.56 -46.74 2.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.838 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 68.25 153.53 0.49 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.532 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -107.35 113.28 3.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.514 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 4.9 t -125.8 172.83 9.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.901 0.382 . . . . 0.0 110.882 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -166.08 162.11 35.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.528 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -35.72 12.04 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.706 2.271 . . . . 0.0 112.314 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 43.6 t -94.48 -44.0 8.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.9 m -70.67 169.18 14.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.495 -179.959 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.9 t -168.05 132.82 1.77 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.893 0.378 . . . . 0.0 110.832 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -111.28 148.14 33.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.809 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.83 93.97 0.32 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.477 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.5 t -136.54 109.37 7.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.867 0.365 . . . . 0.0 110.867 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.1 t -117.99 144.98 45.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.824 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.71 56.02 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -132.25 144.12 51.76 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.614 0.721 . . . . 0.0 110.882 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 116.98 4.81 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.738 2.292 . . . . 0.0 112.323 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -90.62 136.14 33.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.408 ' O ' ' NH1' ' A' ' 13' ' ' ARG . 81.7 mtt180 -48.35 143.79 6.92 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.605 0.717 . . . . 0.0 110.886 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 127.39 14.53 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.67 2.247 . . . . 0.0 112.318 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.408 ' NH1' ' O ' ' A' ' 11' ' ' ARG . 0.7 OUTLIER -114.17 146.63 40.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.833 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.33 102.33 14.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.105 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -98.26 -158.21 29.99 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.461 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.424 ' O ' ' N ' ' A' ' 20' ' ' GLY . 54.1 Cg_endo -69.71 2.51 3.44 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.705 2.27 . . . . 0.0 112.362 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -71.51 -65.93 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -55.97 -35.74 67.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 47' ' ' GLU . 5.8 mp -81.91 -37.49 26.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.95 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 16' ' ' PRO . . . -56.49 -26.03 51.1 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -84.62 4.91 30.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.756 0.312 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 41.9 mt -92.19 -58.31 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.153 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.4 mt -108.29 34.17 3.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -59.29 111.06 1.22 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.83 32.49 9.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.466 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.6 t -120.65 151.2 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 111.112 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.0 t -128.03 117.57 46.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.09 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.4 m -110.93 153.83 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.101 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.3 t -128.98 122.23 56.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.8 mt -82.16 123.41 28.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 m -140.93 132.57 27.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 74.85 31.22 58.41 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.502 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.653 ' CZ ' ' CD2' ' A' ' 41' ' ' LEU . 59.2 m-85 -112.27 161.02 17.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.789 0.328 . . . . 0.0 110.884 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.423 ' N ' ' HB2' ' A' ' 38' ' ' ARG . 9.4 tp60 -144.03 131.92 21.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.525 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -62.05 154.16 70.45 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.622 0.725 . . . . 0.0 110.891 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.9 Cg_endo -69.78 -30.91 4.88 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.649 -1.813 . . . . 0.0 112.389 -0.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' A' ' 36' ' ' PRO . 12.3 t80 -34.49 -58.73 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.423 ' HB2' ' N ' ' A' ' 34' ' ' GLN . 21.3 ttm180 -45.53 -49.46 13.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.4 t -64.03 -57.62 9.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -46.7 -53.71 11.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.653 ' CD2' ' CZ ' ' A' ' 33' ' ' PHE . 23.5 tp -46.54 -40.24 12.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.945 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.438 ' NE ' ' CD2' ' A' ' 52' ' ' TYR . 28.0 ttt180 -68.17 -49.29 61.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -43.21 -56.69 3.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.437 ' NZ ' ' ND1' ' A' ' 93' ' ' HIS . 29.9 mttm -60.79 -49.05 79.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.78 -33.37 16.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.102 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 51.4 mt -69.12 -42.09 76.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.456 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 36.3 mm-40 -55.35 -43.65 75.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.6 mt -62.82 -14.65 48.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.929 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.79 23.42 33.18 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.492 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.73 152.27 18.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.885 0.374 . . . . 0.0 111.084 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.422 ' N ' ' HE3' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -89.54 130.92 35.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.438 ' CD2' ' NE ' ' A' ' 42' ' ' ARG . 3.4 t80 -101.81 107.61 18.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -106.2 143.58 27.23 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.716 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -29.37 24.05 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.681 2.254 . . . . 0.0 112.358 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -140.41 160.53 39.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.521 ' CZ3' ' HB3' ' A' ' 60' ' ' SER . 62.2 t-105 -57.64 110.82 0.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 65.3 p -97.15 172.45 7.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -76.43 -2.24 31.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -111.53 -6.13 14.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.521 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 47.6 m -58.89 119.54 7.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 60.3 p -97.94 -33.34 11.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.171 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.431 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 21.6 m80 -137.45 147.41 45.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.582 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.2 tp -116.72 119.0 34.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.451 HD12 ' CG2' ' A' ' 89' ' ' VAL . 12.9 mm -86.07 92.16 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 52.4 t -93.76 144.3 25.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.02 -44.42 16.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.086 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -152.5 145.06 24.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.5 -175.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.057 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 63.29 28.66 15.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.23 160.01 27.69 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.632 0.729 . . . . 0.0 111.089 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -34.24 14.8 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.644 2.229 . . . . 0.0 112.31 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.49 -25.4 45.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.967 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -62.09 -54.62 38.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.3 t -65.55 -41.97 92.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.846 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -49.79 -48.28 50.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.7 t -80.75 -15.02 12.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 49.2 tp -73.8 -43.63 58.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.4 -36.55 78.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.548 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 30.2 mt -60.99 -46.81 89.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.877 0.37 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 117.18 42.07 0.66 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.513 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -101.73 166.54 18.18 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.516 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.431 ' HG2' ' CD2' ' A' ' 62' ' ' HIS . 3.5 tpt180 -84.9 94.79 8.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 110.871 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 57.9 mt -85.53 114.89 26.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.3 m -132.06 163.03 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.6 mtp85 -69.58 177.14 3.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.1 pttm -79.82 -29.79 40.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.414 ' O ' ' CG ' ' A' ' 91' ' ' ASP . 7.8 tt0 -50.67 -40.25 53.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 24.9 t90 -40.41 -33.07 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.451 ' CG2' HD12 ' A' ' 64' ' ' ILE . 92.4 t -88.53 -41.47 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 54.1 mt -61.36 -55.96 25.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 87' ' ' GLU . 0.7 OUTLIER -58.84 -47.95 83.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.821 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 96' ' ' ARG . 12.4 m -56.04 -52.11 65.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.437 ' ND1' ' NZ ' ' A' ' 44' ' ' LYS . 46.4 t-80 -60.03 -55.26 36.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.653 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -46.97 -52.38 14.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 11.3 mtm -84.21 -4.81 59.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 92' ' ' CYS . 30.0 mtm-85 47.43 44.04 16.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -141.77 170.49 15.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 27.0 ttt-85 -93.92 114.6 26.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 72.3 mt -99.28 149.03 35.44 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.597 0.713 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 104.39 1.32 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.702 2.268 . . . . 0.0 112.311 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.8 t -51.77 -28.31 14.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -51.86 -36.79 49.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -73.76 -26.88 60.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -101.75 22.98 11.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 11.6 mt -69.54 119.89 14.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -83.88 -51.42 7.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -116.57 161.27 19.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.059 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 99.07 146.54 20.51 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.53 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -22.36 32.39 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.362 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 155.75 -164.54 32.22 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 78.5 p -77.67 85.4 4.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.865 0.365 . . . . 0.0 110.807 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.8 t -100.17 -60.72 1.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.5 t -124.67 54.27 1.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.825 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.75 61.34 2.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.42 ' C ' ' OE1' ' A' ' 115' ' ' GLU . 0.3 OUTLIER -74.26 156.21 37.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -125.53 168.27 13.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -107.63 -50.92 2.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 68.77 42.54 1.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 34.9 t -128.34 132.87 48.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.812 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -94.5 140.0 30.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.582 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 12.6 t -98.28 -53.97 3.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.986 -1.007 . . . . 0.0 110.855 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 154.13 -176.92 31.83 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.529 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -77.96 98.43 1.45 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.491 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 28.6 t -118.69 123.52 45.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 0.0 110.859 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 169.59 83.46 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.468 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 170.38 16.78 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.691 2.261 . . . . 0.0 112.313 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.0 t -64.69 166.77 8.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 38.6 m -78.73 -177.63 5.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.5 p -170.74 139.19 1.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.358 . . . . 0.0 110.845 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.8 p -109.44 -44.93 3.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.34 165.82 6.95 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.444 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.1 m -157.13 149.36 22.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.851 0.358 . . . . 0.0 110.857 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -158.18 144.1 17.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.56 168.48 12.15 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.445 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -123.96 81.06 56.74 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.641 0.734 . . . . 0.0 110.901 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 101.96 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.357 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 11' ' ' ARG . 21.5 ttm180 -127.66 36.67 4.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -34.57 139.21 0.31 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.612 0.72 . . . . 0.0 110.857 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -51.02 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.68 2.254 . . . . 0.0 112.362 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.8 mtt180 -157.13 142.53 17.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 42.31 47.12 4.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.049 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.64 -158.51 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.461 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -0.73 7.29 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.684 2.256 . . . . 0.0 112.347 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -75.59 -64.38 1.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -41.34 -45.91 3.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.456 ' N ' HD21 ' A' ' 19' ' ' LEU . 4.3 mm? -73.29 -48.25 36.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.13 -21.39 38.85 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -86.49 4.47 39.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.744 0.307 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 27.2 mt -93.17 -59.07 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.183 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.415 HD12 ' CD1' ' A' ' 48' ' ' LEU . 22.9 mt -105.08 40.97 1.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.502 HE21 ' N ' ' A' ' 25' ' ' GLY . 8.8 tp60 -63.62 112.49 2.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.502 ' N ' HE21 ' A' ' 24' ' ' GLN . . . 90.41 28.67 16.25 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.472 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.2 t -117.01 134.13 61.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 0.0 111.166 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.41 ' CG1' ' HA ' ' A' ' 60' ' ' SER . 84.4 t -115.46 110.4 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.0 m -106.35 151.87 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.6 t -127.0 129.82 71.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.2 mt -81.96 123.48 28.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.6 m -139.89 105.86 5.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.07 39.52 3.52 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.483 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.584 ' CE1' ' CD2' ' A' ' 41' ' ' LEU . 92.9 m-85 -127.92 148.56 50.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -136.51 128.96 30.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.531 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 2.0 p30 -54.22 154.17 8.49 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.662 0.744 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 54.1 Cg_endo -69.77 -23.91 8.84 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.341 -0.018 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -41.39 -52.37 3.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 -50.03 -54.28 21.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.0 m -56.94 -60.35 3.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -44.94 -51.72 9.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.584 ' CD2' ' CE1' ' A' ' 33' ' ' PHE . 28.4 tp -55.52 -46.33 77.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.456 ' HG3' ' CD2' ' A' ' 52' ' ' TYR . 36.5 ttp180 -57.77 -52.18 66.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -50.11 -53.41 27.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.429 ' HG2' ' ND1' ' A' ' 93' ' ' HIS . 64.1 mttt -52.57 -45.22 66.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.5 -36.11 75.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 27.2 mt -64.74 -42.05 95.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.4 ' C ' ' HB3' ' A' ' 19' ' ' LEU . 6.1 mm-40 -51.33 -53.42 36.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.415 ' CD1' HD12 ' A' ' 23' ' ' LEU . 6.8 mt -57.27 -12.78 2.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.1 27.74 25.02 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.49 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.57 155.86 17.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.873 0.368 . . . . 0.0 111.081 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.64 130.28 38.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.456 ' CD2' ' HG3' ' A' ' 42' ' ' ARG . 1.8 t80 -101.03 113.59 26.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.1 mmp_? -108.75 143.98 28.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.61 0.719 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -26.41 27.49 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.709 2.273 . . . . 0.0 112.3 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -143.84 164.0 31.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.52 ' CE3' HD22 ' A' ' 63' ' ' LEU . 58.7 t-105 -61.05 108.35 0.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.941 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 39.3 p -100.48 166.88 10.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -69.96 -24.44 63.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.819 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -85.11 -14.22 47.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.474 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 28.1 m -55.51 139.78 42.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 39.6 p -109.44 -42.94 4.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.099 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.442 ' CE1' HH21 ' A' ' 82' ' ' ARG . 0.3 OUTLIER -127.98 161.87 28.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.644 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.52 HD22 ' CE3' ' A' ' 56' ' ' TRP . 1.2 tm? -119.92 121.09 38.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.963 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.456 ' N ' HD12 ' A' ' 63' ' ' LEU . 29.9 mm -90.61 97.73 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.159 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 41.3 t -105.24 140.25 38.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.4 -40.07 13.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.4 ' CD1' ' N ' ' A' ' 67' ' ' PHE . 0.4 OUTLIER -154.26 137.95 16.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.05 -178.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 65.62 45.26 2.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.2 p -125.39 158.17 65.16 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.563 0.697 . . . . 0.0 111.176 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -25.71 28.33 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.68 2.253 . . . . 0.0 112.316 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm -90.28 -34.68 15.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.48 ' CZ ' HD12 ' A' ' 77' ' ' LEU . 37.7 t80 -57.22 -59.22 5.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.6 t -60.42 -46.42 90.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.827 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -47.33 -61.56 1.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.463 HG23 ' CD2' ' A' ' 56' ' ' TRP . 39.9 t -65.59 -14.93 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.48 HD12 ' CZ ' ' A' ' 73' ' ' TYR . 4.8 tt -77.21 -57.99 3.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.961 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.77 -39.32 87.0 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.505 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.2 mt -55.67 -38.0 69.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.853 0.359 . . . . 0.0 110.946 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 114.93 13.67 9.1 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.496 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -78.25 161.88 49.18 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.442 HH21 ' CE1' ' A' ' 62' ' ' HIS . 24.3 ttp180 -84.34 100.85 11.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.782 0.325 . . . . 0.0 110.871 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.463 ' CD1' ' O ' ' A' ' 73' ' ' TYR . 12.2 mt -91.52 125.67 44.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 2.3 m -136.73 157.79 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -75.93 160.83 29.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -60.02 -30.17 68.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -45.0 -29.43 0.84 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 19.1 t90 -59.85 -52.77 64.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 81.1 t -66.52 -50.95 62.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 33.6 mt -51.1 -56.88 10.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -59.31 -58.49 8.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 96' ' ' ARG . 64.3 m -43.54 -49.48 7.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.429 ' ND1' ' HG2' ' A' ' 44' ' ' LYS . 7.2 t-80 -58.94 -67.72 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.637 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 -41.06 -60.29 1.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.461 ' HB3' ' NE ' ' A' ' 97' ' ' ARG . 4.2 mmt -66.79 -24.71 66.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 92' ' ' CYS . 69.3 mtm180 62.34 33.24 16.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.461 ' NE ' ' HB3' ' A' ' 95' ' ' MET . 8.1 ptp180 -129.8 176.28 8.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 29.6 ttt-85 -97.85 88.54 4.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 20.8 mt -81.63 148.87 63.1 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.604 0.716 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 121.43 8.13 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.2 p -76.98 -23.12 52.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.84 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -55.22 -32.41 62.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -75.39 -16.23 60.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -110.71 30.31 6.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.3 mt -85.63 121.13 27.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 11.0 mtm -86.54 -52.1 5.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.14 120.1 3.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.149 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 40.27 -159.24 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.504 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -9.62 26.55 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.684 2.256 . . . . 0.0 112.307 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 121.69 -122.82 5.27 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.465 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.1 p -136.12 124.14 22.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.865 0.364 . . . . 0.0 110.896 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.4 t -100.24 82.74 2.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.7 m 43.75 43.67 5.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -118.98 96.89 5.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -145.28 170.45 16.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -78.04 110.76 13.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.833 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -65.83 -39.59 90.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -76.77 80.03 3.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.058 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.7 t -68.22 89.24 0.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -80.47 115.9 20.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.605 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 43.1 t -61.41 155.82 20.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.885 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -169.07 140.86 6.37 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -98.66 153.05 19.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.485 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 78.2 p -61.28 130.35 45.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.932 0.396 . . . . 0.0 110.848 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -98.68 146.6 18.22 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.451 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -174.31 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.261 . . . . 0.0 112.376 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 35.0 m -98.14 139.55 33.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.2 t 52.05 40.54 28.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.513 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.6 m -120.82 158.03 28.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.851 0.358 . . . . 0.0 110.842 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.8 m -129.88 173.24 10.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.45 -151.42 8.13 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.502 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.7 t -164.23 147.58 9.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.853 0.359 . . . . 0.0 110.863 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.6 t -75.62 124.77 27.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.83 90.86 0.81 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -117.94 142.33 30.7 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.673 0.749 . . . . 0.0 110.857 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 123.18 9.84 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.704 2.269 . . . . 0.0 112.304 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.64 154.0 41.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.44 155.42 39.7 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.655 0.74 . . . . 0.0 110.832 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -12.5 33.05 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.71 2.273 . . . . 0.0 112.313 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -69.18 172.92 6.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.06 81.33 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.72 -158.18 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.486 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 2.03 3.89 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.689 2.259 . . . . 0.0 112.317 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -67.39 -55.52 13.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -55.25 -56.18 22.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.573 ' CD2' ' CD2' ' A' ' 93' ' ' HIS . 5.4 mp -52.05 -51.92 54.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.956 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.45 -17.26 1.15 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.531 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.2 mttp -94.88 -28.36 15.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.709 0.29 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 62.4 mt -55.7 -59.03 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.153 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 66.8 mt -106.23 56.37 0.66 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -80.72 107.19 13.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.41 29.34 10.25 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.0 t -119.29 144.59 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 111.156 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.0 t -120.51 113.03 38.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.5 m -105.82 148.84 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.3 t -130.56 126.96 61.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.552 HD11 ' CE1' ' A' ' 52' ' ' TYR . 18.7 mt -87.55 124.94 34.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.7 t -141.47 105.44 4.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.812 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.6 50.09 1.73 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -125.35 161.83 26.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -140.05 124.83 18.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.48 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.3 OUTLIER -60.01 159.98 18.27 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.708 . . . . 0.0 110.901 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.48 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 54.1 Cg_endo -69.78 -27.33 6.89 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.336 -0.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 36' ' ' PRO . 13.6 t80 -36.76 -47.91 0.7 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -52.68 -55.9 19.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 95.2 p -59.23 -58.43 8.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -47.28 -51.91 17.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.4 tp -53.22 -48.64 67.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.512 ' HD2' ' CD2' ' A' ' 52' ' ' TYR . 27.0 ttp180 -57.21 -42.57 81.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -54.22 -59.51 4.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.505 ' CG ' ' CG ' ' A' ' 93' ' ' HIS . 1.7 mptp? -50.49 -45.65 56.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.26 -41.18 71.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.091 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.2 mt -63.33 -41.79 98.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -56.56 -37.75 70.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.7 mt -70.88 -14.77 62.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.69 16.2 49.74 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.512 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.77 147.54 26.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.841 0.353 . . . . 0.0 111.07 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -88.8 123.93 33.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.935 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.552 ' CE1' HD11 ' A' ' 30' ' ' LEU . 3.7 t80 -101.75 112.08 24.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 32.1 mmm180 -107.63 143.53 27.45 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.61 0.719 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -12.53 33.18 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.721 2.28 . . . . 0.0 112.308 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -152.74 163.8 39.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.433 ' CZ3' ' HB2' ' A' ' 63' ' ' LEU . 72.8 t-105 -64.71 102.66 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.1 p -85.2 -175.85 5.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.13 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.26 -3.5 57.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -106.24 -15.47 14.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.827 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 64.1 m -51.58 129.17 25.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 71.5 p -110.63 -31.27 7.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.085 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -136.73 125.11 23.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.59 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.433 ' HB2' ' CZ3' ' A' ' 56' ' ' TRP . 11.4 tp -95.07 114.1 25.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.99 -1.004 . . . . 0.0 110.857 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 43.8 mm -80.14 97.86 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 19.5 t -98.53 141.18 31.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.34 -33.82 23.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -160.96 145.1 13.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.57 -179.71 2.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.086 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 67.52 37.24 3.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.44 160.07 35.91 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.558 0.694 . . . . 0.0 111.156 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -29.91 23.35 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.668 2.245 . . . . 0.0 112.345 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.74 -26.72 27.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.559 ' CE1' HD13 ' A' ' 77' ' ' LEU . 3.0 t80 -63.82 -45.64 88.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.3 t -65.06 -47.48 77.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.843 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -47.41 -64.09 0.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.408 HG13 ' CH2' ' A' ' 56' ' ' TRP . 42.1 t -60.67 -14.86 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.559 HD13 ' CE1' ' A' ' 73' ' ' TYR . 4.6 tt -75.11 -46.25 35.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -72.08 -37.58 59.99 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.493 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 35.0 mt -58.07 -47.17 83.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.832 0.349 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 122.49 27.92 1.54 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -94.19 152.56 20.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -76.86 103.24 6.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.772 0.32 . . . . 0.0 110.911 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 21.0 mt -91.6 112.16 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.4 m -126.21 167.46 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 29.7 mmm-85 -71.94 173.81 7.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.413 ' HD2' ' C ' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -83.79 -33.82 24.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.404 ' N ' ' HD2' ' A' ' 86' ' ' LYS . 5.1 tt0 -47.21 -31.42 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 27.7 t90 -49.48 -49.74 44.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 89.4 t -65.33 -55.12 21.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.114 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 78.4 mt -49.14 -64.46 0.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.416 ' CG ' ' HE1' ' A' ' 95' ' ' MET . 22.5 t0 -48.06 -48.74 33.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.8 m -53.67 -48.18 69.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.573 ' CD2' ' CD2' ' A' ' 19' ' ' LEU . 48.4 t-80 -67.32 -64.55 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.576 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -39.33 -54.22 1.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.416 ' HE1' ' CG ' ' A' ' 91' ' ' ASP . 28.3 mtm -80.8 -15.18 57.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 93' ' ' HIS . 60.3 mtm180 58.29 38.7 26.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -135.52 160.23 39.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 36.8 ttt-85 -88.6 117.23 27.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 26.1 mt -104.32 145.67 31.13 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.603 0.716 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 101.06 0.87 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.66 2.24 . . . . 0.0 112.357 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.0 p -43.51 -24.62 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.459 ' HA ' ' CD1' ' A' ' 105' ' ' LEU . 3.5 mp0 -52.83 -43.95 66.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -60.6 -17.54 47.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -117.51 34.64 5.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.459 ' CD1' ' HA ' ' A' ' 102' ' ' GLN . 10.1 mt -84.37 109.92 18.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.927 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 12.3 mtm -89.97 -43.26 10.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 108' ' ' GLY . . . -83.36 145.67 28.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 107' ' ' ALA . . . 59.21 145.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.46 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 89.24 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.654 2.236 . . . . 0.0 112.39 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 61.1 -173.38 6.38 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.501 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.443 ' HB3' ' CD1' ' A' ' 105' ' ' LEU . 94.0 p -124.53 115.01 20.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.836 0.351 . . . . 0.0 110.829 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 113' ' ' SER . 5.5 t -110.76 95.33 5.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 112' ' ' SER . 92.5 p 36.52 49.55 0.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -113.08 80.76 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -98.71 172.17 7.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -107.54 146.75 31.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -52.37 -45.84 65.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -108.47 43.02 1.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.072 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.0 m -49.27 -39.05 29.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.537 ' O ' ' CD2' ' A' ' 120' ' ' HIS . 12.8 p-80 -93.64 108.58 20.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.622 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 74.3 m -64.6 -55.29 21.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 137.07 -60.32 0.62 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.458 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 40.79 -128.49 3.21 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.1 t -169.44 175.27 5.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.921 0.391 . . . . 0.0 110.858 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -104.43 -94.39 2.33 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.513 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 143.2 50.28 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.697 2.264 . . . . 0.0 112.366 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 54.0 p -139.29 168.26 20.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 62.0 p -96.08 42.26 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.839 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 179.977 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -62.86 150.44 41.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.338 . . . . 0.0 110.876 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -156.53 125.71 6.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.799 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.99 123.52 0.68 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.477 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.5 p -110.61 114.8 28.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.881 0.372 . . . . 0.0 110.883 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 m -50.72 -48.7 58.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.35 68.23 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -54.74 148.59 25.93 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.658 0.742 . . . . 0.0 110.897 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 170.93 15.39 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.43 108.09 19.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.2 tpt180 -96.02 134.32 24.0 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.629 0.728 . . . . 0.0 110.837 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -18.72 36.97 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.651 2.234 . . . . 0.0 112.321 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.4 mmp_? -47.22 173.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.05 33.21 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.084 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.82 146.27 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.461 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -1.56 8.69 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.697 2.265 . . . . 0.0 112.346 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.436 ' OE2' ' NZ ' ' A' ' 21' ' ' LYS . 4.5 tp10 -72.32 -66.62 0.63 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' GLU . 7.0 mm-40 -37.5 -60.51 0.68 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.94 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.472 ' CD2' ' HB3' ' A' ' 47' ' ' GLU . 5.5 mp -61.82 -47.37 85.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.49 -15.14 2.72 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.436 ' NZ ' ' OE2' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -100.17 -19.27 16.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.757 0.313 . . . . 0.0 110.893 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.46 ' CD1' ' HA ' ' A' ' 19' ' ' LEU . 75.4 mt -63.31 -58.4 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.8 mt -110.34 49.06 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.02 116.9 12.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.35 31.92 32.71 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.511 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.2 t -117.16 146.73 21.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.84 0.353 . . . . 0.0 111.175 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.7 t -119.24 119.4 60.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.5 m -116.29 146.32 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.5 t -120.49 125.88 74.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.8 mt -83.2 117.57 23.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.514 ' O ' ' CD2' ' A' ' 33' ' ' PHE . 7.7 t -124.13 153.82 40.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 39.38 53.28 2.82 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.512 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.514 ' CD2' ' O ' ' A' ' 31' ' ' SER . 45.3 m-85 -124.59 150.3 46.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 0.0 110.86 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -140.78 136.15 32.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.498 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.6 OUTLIER -65.85 160.47 61.94 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.591 0.71 . . . . 0.0 110.895 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.6 Cg_endo -69.79 -27.47 6.82 Favored 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.325 -0.038 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' A' ' 36' ' ' PRO . 51.5 t80 -35.37 -49.9 0.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -53.13 -53.5 49.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.1 p -57.62 -47.67 81.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -57.13 -53.22 60.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 39.8 tp -60.75 -44.43 96.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.407 ' NH1' HD11 ' A' ' 46' ' ' LEU . 2.9 tmm_? -51.89 -44.45 63.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -59.99 -55.95 27.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -48.03 -51.23 24.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.27 -35.97 39.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.077 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.407 HD11 ' NH1' ' A' ' 42' ' ' ARG . 42.1 mt -70.07 -46.45 64.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.472 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 17.0 mm-40 -51.18 -44.96 61.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.9 mt -65.29 -17.13 64.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.43 30.45 9.89 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.498 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.23 152.24 20.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 111.08 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -92.1 122.69 34.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -97.28 108.55 21.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -105.06 143.26 26.37 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.623 0.725 . . . . 0.0 110.853 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -20.58 34.58 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.728 2.285 . . . . 0.0 112.32 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -143.97 159.05 43.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.537 ' CZ3' ' HB3' ' A' ' 60' ' ' SER . 62.4 t-105 -57.27 105.49 0.24 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.3 p -92.57 170.44 9.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -78.02 -1.61 33.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -108.43 -7.36 15.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.537 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 4.3 m -59.64 125.5 23.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.469 ' C ' ' ND1' ' A' ' 62' ' ' HIS . 22.0 p -108.31 -30.9 8.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.1 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.58 ' CD2' ' CH2' ' A' ' 88' ' ' TRP . 0.2 OUTLIER -135.13 126.66 28.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.541 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 20.4 tp -95.59 120.22 35.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.437 HD12 ' CG2' ' A' ' 89' ' ' VAL . 13.2 mm -93.38 91.31 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 6.7 t -94.45 145.34 24.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.86 -42.91 26.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -161.05 161.08 31.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.53 -178.07 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 57.38 51.98 9.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.7 p -127.88 157.24 74.29 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.6 0.714 . . . . 0.0 111.115 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -18.81 37.09 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.676 2.25 . . . . 0.0 112.341 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -94.12 -31.94 13.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.562 ' CE2' HD11 ' A' ' 77' ' ' LEU . 73.5 t80 -56.99 -58.66 7.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.8 t -61.97 -49.08 77.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.802 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -43.36 -58.15 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.3 t -71.09 -14.97 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.562 HD11 ' CE2' ' A' ' 73' ' ' TYR . 2.2 tt -72.05 -52.17 18.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.95 -39.74 93.33 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.484 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 43.5 mt -53.9 -43.58 69.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.88 0.372 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 114.79 29.66 2.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.47 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -93.11 174.63 35.71 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.422 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.493 HH21 ' CE1' ' A' ' 62' ' ' HIS . 13.7 ttp-105 -97.79 105.27 17.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.328 . . . . 0.0 110.909 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 22.4 mt -91.97 113.48 27.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 16.8 m -128.43 151.13 34.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.096 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.9 mtp180 -64.59 171.18 3.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.4 pttp -76.39 -23.48 54.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -50.42 -38.59 43.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.58 ' CH2' ' CD2' ' A' ' 62' ' ' HIS . 27.2 t90 -46.58 -43.02 16.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.437 ' CG2' HD12 ' A' ' 64' ' ' ILE . 93.5 t -72.91 -58.66 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.162 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.1 mt -42.51 -71.36 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -44.5 -47.69 10.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.8 m -55.56 -43.74 76.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.443 ' CD2' ' CD2' ' A' ' 19' ' ' LEU . 18.6 t-80 -72.21 -63.59 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.584 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.7 tpp85 -42.44 -44.69 4.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.441 ' CB ' ' HG2' ' A' ' 97' ' ' ARG . 5.0 mtm -91.22 -11.49 38.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.424 ' C ' HD13 ' A' ' 22' ' ' ILE . 27.5 mtm-85 50.95 42.31 28.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.441 ' HG2' ' CB ' ' A' ' 95' ' ' MET . 5.1 ptp180 -137.1 158.75 43.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 17.0 ttt-85 -85.33 107.02 17.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.6 mt -102.33 148.86 36.04 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.561 0.695 . . . . 0.0 110.941 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 129.28 17.27 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.705 2.27 . . . . 0.0 112.281 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 64.6 p -71.09 -10.5 59.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -54.89 -53.53 54.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.56 ' HG3' ' CD2' ' A' ' 104' ' ' TYR . 3.3 ptp180 -63.22 -12.26 27.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.56 ' CD2' ' HG3' ' A' ' 103' ' ' ARG . 81.3 m-85 -112.81 28.03 9.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.0 mt -79.99 125.69 30.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.3 mtp -101.24 -36.18 9.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -114.75 179.72 3.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.84 146.22 0.53 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -4.56 14.29 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.665 2.243 . . . . 0.0 112.34 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 118.56 -147.78 18.49 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.463 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.8 m -83.93 83.18 8.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 0.0 110.887 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 91.3 p -82.07 43.97 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.3 m 57.02 43.83 23.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.98 25.71 1.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -111.33 163.29 14.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -108.8 164.51 12.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -62.88 -50.3 71.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -101.52 -61.66 1.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.0 t -152.16 148.37 27.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.85 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -95.82 -51.38 4.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.582 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.5 t -56.24 -51.63 67.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.873 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 120.29 -124.07 5.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 178.2 100.29 0.13 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.3 p -107.24 130.68 54.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.972 0.415 . . . . 0.0 110.85 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -96.78 179.34 34.17 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.452 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 88.35 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.692 2.262 . . . . 0.0 112.348 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 58.7 p -104.66 139.1 40.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.827 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 17.6 t -84.68 151.54 24.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.501 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 t -43.26 -56.37 3.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 0.0 110.896 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.9 p -69.51 113.09 6.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.91 -98.15 0.19 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.466 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.7 p -51.73 -47.28 64.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.929 0.395 . . . . 0.0 110.875 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.0 t -67.07 148.98 51.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.891 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.92 -144.69 5.94 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.505 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -155.94 144.06 14.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.639 0.733 . . . . 0.0 110.881 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 157.57 59.95 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.651 2.234 . . . . 0.0 112.346 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.9 mmt85 -133.06 138.03 46.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.403 ' N ' ' HD2' ' A' ' 11' ' ' ARG . 0.2 OUTLIER -146.9 143.94 19.26 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.559 0.695 . . . . 0.0 110.881 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -28.98 24.2 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.656 2.237 . . . . 0.0 112.313 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 15' ' ' GLY . 44.6 mtt-85 -77.44 143.61 38.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.41 74.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.099 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 13' ' ' ARG . . . -63.27 -158.24 0.17 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.465 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -2.3 9.94 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.706 2.271 . . . . 0.0 112.334 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -70.0 -42.45 73.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.506 ' CG ' ' N ' ' A' ' 19' ' ' LEU . 6.2 pt-20 -65.54 -48.75 71.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.506 ' N ' ' CG ' ' A' ' 18' ' ' GLU . 5.5 mp -61.42 -55.8 27.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.47 -17.61 2.02 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.503 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.9 mmtm -89.73 -26.85 20.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.692 0.282 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.448 HD13 ' CA ' ' A' ' 97' ' ' ARG . 45.8 mt -57.51 -57.71 9.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.438 ' CD1' HD11 ' A' ' 48' ' ' LEU . 21.6 mt -106.76 57.3 0.64 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.939 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -78.88 112.54 16.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.6 23.69 41.98 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.8 t -110.5 146.24 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 0.0 111.103 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 65.0 t -124.06 115.0 43.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.1 m -105.25 153.95 6.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.174 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.9 t -128.47 125.85 64.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.0 mt -87.06 119.1 26.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.963 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 85.3 p -129.53 133.13 47.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 67.0 43.34 91.41 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.568 ' CE1' ' HB1' ' A' ' 66' ' ' ALA . 64.5 m-85 -126.28 150.68 48.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 0.0 110.861 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.4 pm0 -140.23 140.57 35.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.528 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 1.2 p-10 -62.31 154.17 72.45 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.564 0.697 . . . . 0.0 110.944 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.7 Cg_endo -69.79 -26.41 7.44 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.363 -0.007 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.435 ' C ' ' O ' ' A' ' 36' ' ' PRO . 1.7 t80 -34.85 -50.34 0.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -54.68 -47.71 73.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 36' ' ' PRO . 1.5 t -61.63 -48.53 80.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -56.49 -48.08 77.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.459 ' CD1' ' CE1' ' A' ' 33' ' ' PHE . 10.3 mt -61.76 -57.63 11.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -52.11 -46.7 65.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -53.32 -59.19 4.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -56.79 -38.24 72.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.33 -35.01 76.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.0 mt -69.42 -39.78 77.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.415 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 14.7 mm-40 -52.52 -52.17 56.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.438 HD11 ' CD1' ' A' ' 23' ' ' LEU . 30.4 mt -57.37 -18.77 19.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.04 22.12 23.71 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.34 154.84 17.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 111.127 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -91.12 142.26 27.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -111.71 112.25 23.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -115.38 143.81 31.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.556 0.693 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -12.85 33.79 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.655 2.237 . . . . 0.0 112.374 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' A' ' 56' ' ' TRP . 7.5 t70 -151.72 169.65 21.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.588 ' CZ2' ' O ' ' A' ' 60' ' ' SER . 70.3 t-105 -74.58 121.92 22.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.7 p -110.31 -178.02 3.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.153 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.5 ptt85 -74.68 -4.53 37.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -110.45 -23.09 11.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.588 ' O ' ' CZ2' ' A' ' 56' ' ' TRP . 4.0 m -51.8 106.36 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.825 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.417 ' OG1' ' ND1' ' A' ' 62' ' ' HIS . 70.8 p -85.81 -45.09 11.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.137 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.417 ' ND1' ' OG1' ' A' ' 61' ' ' THR . 4.2 m80 -122.42 148.01 45.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.57 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 tp -118.0 128.62 54.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.99 -1.004 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.5 mm -89.14 91.62 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 42.3 t -95.49 114.06 25.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.568 ' HB1' ' CE1' ' A' ' 33' ' ' PHE . . . -67.27 -35.19 78.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -161.17 142.5 11.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.71 -175.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.102 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.3 m120 64.33 26.14 13.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -110.5 159.9 30.52 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.566 0.698 . . . . 0.0 111.156 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -19.33 36.29 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.733 2.289 . . . . 0.0 112.293 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.06 -18.24 24.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.866 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -76.41 -48.84 18.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.5 m -73.16 -31.68 64.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.838 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -61.17 -60.39 3.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.563 HG21 ' CE3' ' A' ' 56' ' ' TRP . 39.3 t -67.04 -14.96 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 37.8 tp -78.61 -50.44 11.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -62.05 -32.93 84.01 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.1 mt -71.11 -57.52 4.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.801 0.334 . . . . 0.0 110.93 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 131.16 28.8 0.63 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -87.66 173.73 43.96 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.521 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -88.21 94.82 9.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 35.1 mt -84.26 120.61 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.109 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.7 m -138.65 176.59 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.117 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -94.88 -178.13 4.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.4 pttm -77.48 -29.65 52.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -43.78 -32.24 1.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 19.9 t90 -58.99 -60.11 4.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 95.7 t -59.64 -52.36 61.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 28.4 mt -49.68 -57.36 7.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -62.18 -41.6 98.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 2.8 m -56.4 -44.86 80.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -76.84 -60.77 2.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.57 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -43.27 -33.93 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 5.5 mtm -104.8 -11.84 16.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 51.1 mtm180 52.54 41.83 31.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.448 ' CA ' HD13 ' A' ' 22' ' ' ILE . 15.7 ptp180 -137.82 166.11 24.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 47.4 ttt85 -92.63 115.3 27.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.0 mt -103.03 144.01 27.77 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.614 0.721 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 93.4 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 2.245 . . . . 0.0 112.352 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.2 p -49.6 -21.17 0.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -53.78 -25.11 17.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -92.45 -14.75 28.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -107.23 23.16 14.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 63.1 mt -84.2 133.39 34.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.934 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.4 mtm -90.62 -61.72 1.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -116.26 4.52 13.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.117 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -75.17 145.82 33.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.498 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -172.95 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.698 2.265 . . . . 0.0 112.354 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 112' ' ' SER . . . -75.28 116.94 5.13 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.1 t -61.56 77.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.873 0.368 . . . . 0.0 110.875 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 110' ' ' GLY . 63.5 p -78.71 -44.1 24.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.4 t -92.55 39.22 1.03 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.849 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -76.23 58.59 1.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -66.11 152.01 45.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -84.62 137.75 33.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.831 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -108.25 -48.45 3.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.47 80.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 89.9 p -97.36 168.72 10.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 -44.93 105.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.582 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 41.3 p -128.01 -178.78 4.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.867 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -127.78 -64.83 0.13 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.06 -130.71 3.2 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.509 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 79.0 p 43.59 31.25 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.897 0.38 . . . . 0.0 110.834 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -128.71 -78.09 0.22 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -0.52 7.04 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.699 2.266 . . . . 0.0 112.311 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 38.6 t -39.45 117.0 0.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.809 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 36.9 m -54.97 124.64 17.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.6 p -94.89 125.65 39.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.831 0.348 . . . . 0.0 110.896 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.2 t -142.86 138.96 30.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.91 164.82 25.27 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 p -90.61 162.21 15.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.882 0.373 . . . . 0.0 110.852 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.3 p -111.71 -45.5 3.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.73 142.91 4.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -171.48 151.65 3.03 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.698 0.761 . . . . 0.0 110.86 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 117.5 5.13 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.645 2.23 . . . . 0.0 112.303 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -100.91 -30.2 11.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -72.57 145.21 87.15 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.607 0.718 . . . . 0.0 110.845 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -174.64 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.8 ttp85 -73.75 -69.6 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.13 39.47 3.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.055 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.22 151.45 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.461 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 2.33 3.67 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.638 2.225 . . . . 0.0 112.35 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 18' ' ' GLU . 5.3 tp10 -80.14 -53.12 6.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 17' ' ' GLU . 26.4 tp10 -34.51 -60.78 0.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.6 mp -59.21 -49.16 78.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 47' ' ' GLU . . . -47.84 -18.61 0.74 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.458 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.6 mttp -90.07 -29.45 18.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.757 0.313 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 74.9 mt -52.49 -57.71 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.118 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.474 HD22 ' CZ2' ' A' ' 88' ' ' TRP . 67.8 mt -109.38 47.91 0.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.963 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -68.9 113.15 6.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.89 36.56 9.08 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.446 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 84.7 t -120.34 153.82 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.361 . . . . 0.0 111.091 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 65.9 t -128.2 115.96 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.6 m -112.16 169.78 4.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.1 t -144.36 125.21 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.0 mt -82.08 117.71 22.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.2 t -127.84 134.29 49.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 67.4 42.09 90.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.541 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -120.32 151.68 38.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.782 0.325 . . . . 0.0 110.908 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -142.86 123.28 13.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.533 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 11.7 p-10 -50.8 153.84 2.72 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.64 0.733 . . . . 0.0 110.904 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 54.3 Cg_endo -69.75 -26.2 7.54 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.399 -0.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.458 ' C ' ' O ' ' A' ' 36' ' ' PRO . 15.8 t80 -34.04 -60.69 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -45.75 -53.25 9.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.0 t -58.03 -58.66 7.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -45.09 -47.81 11.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 57.0 tp -64.76 -46.5 81.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.604 ' CZ ' ' CD2' ' A' ' 52' ' ' TYR . 9.9 tpt180 -44.51 -53.7 6.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -55.99 -54.66 42.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -46.38 -49.44 17.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.06 -41.69 98.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.085 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.9 -43.29 98.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 20' ' ' GLY . 4.6 mm-40 -53.69 -48.83 69.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.47 ' CD1' HD11 ' A' ' 23' ' ' LEU . 4.4 mt -58.24 -23.48 56.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.63 26.81 8.35 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.99 151.57 20.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.834 0.349 . . . . 0.0 111.112 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -85.18 130.98 34.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.604 ' CD2' ' CZ ' ' A' ' 42' ' ' ARG . 7.1 t80 -103.05 107.15 17.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -105.62 140.82 21.56 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.625 0.726 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.77 -16.7 37.63 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -149.4 162.41 40.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.467 ' CZ3' ' HB3' ' A' ' 60' ' ' SER . 55.5 t-105 -63.94 99.95 0.28 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 48.9 p -93.88 -179.73 5.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.12 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.07 -32.95 67.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -74.34 -17.76 60.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.467 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 17.5 m -53.18 118.14 3.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.7 p -107.35 -36.68 6.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.163 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -126.41 143.05 51.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.607 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 15.7 tp -109.36 117.43 34.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.453 HD13 ' CG2' ' A' ' 89' ' ' VAL . 25.8 mm -87.05 89.7 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 36.0 t -94.61 138.19 32.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.429 ' HB3' ' CD2' ' A' ' 67' ' ' PHE . . . -76.69 -41.11 46.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.429 ' CD2' ' HB3' ' A' ' 66' ' ' ALA . 1.0 OUTLIER -160.53 155.12 23.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.84 -177.88 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 63.95 33.29 12.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.59 157.49 44.16 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.584 0.707 . . . . 0.0 111.18 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -17.31 37.74 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.698 2.265 . . . . 0.0 112.333 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.5 tptp -97.17 -15.66 20.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -78.63 -44.13 24.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.9 m -76.32 -34.14 59.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -59.62 -61.3 2.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.8 t -63.98 -15.0 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.103 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.461 ' CA ' HD12 ' A' ' 83' ' ' ILE . 59.2 tp -75.82 -46.38 30.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.47 -37.32 92.58 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.467 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.7 mt -61.62 -42.87 99.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.808 0.337 . . . . 0.0 110.891 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 111.84 37.86 1.49 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.515 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -99.84 163.84 19.54 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.511 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 17.0 ttm-85 -76.03 95.12 3.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.351 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.461 HD12 ' CA ' ' A' ' 77' ' ' LEU . 67.2 mt -85.83 112.96 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.448 ' CG1' HD22 ' A' ' 105' ' ' LEU . 30.8 m -129.88 153.97 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -74.67 159.26 32.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -59.94 -39.07 84.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -38.37 -41.3 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.49 ' HA ' ' CE2' ' A' ' 104' ' ' TYR . 25.0 t90 -43.94 -46.03 7.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.453 ' CG2' HD13 ' A' ' 64' ' ' ILE . 95.7 t -72.05 -51.68 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 46.5 mt -47.11 -68.37 0.2 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.07 -56.47 12.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 19.7 m -46.18 -41.75 13.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -71.78 -63.26 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.638 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -38.49 -57.29 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.825 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 12.5 mtm -78.28 -24.55 46.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 64.7 mtt85 63.74 42.65 6.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -143.89 153.47 42.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.4 121.58 17.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 96.3 mt -111.7 153.02 44.49 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.638 0.733 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 100.83 0.85 Allowed 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.693 2.262 . . . . 0.0 112.359 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 104' ' ' TYR . 1.1 t -58.1 -27.86 64.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -40.05 -57.68 1.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -57.05 -28.18 62.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.49 ' CE2' ' HA ' ' A' ' 88' ' ' TRP . 69.9 m-85 -80.58 -32.13 36.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.448 HD22 ' CG1' ' A' ' 84' ' ' VAL . 68.4 mt -45.18 108.17 0.12 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.0 mtm -68.18 -62.69 1.29 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -114.58 1.84 14.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.13 144.21 42.56 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.462 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -1.2 8.06 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.643 2.229 . . . . 0.0 112.342 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 101.47 -164.05 17.82 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 35.9 t -97.08 -53.61 3.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.86 0.362 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.8 m 56.73 43.22 25.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.924 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 21.2 m 45.49 46.11 10.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.872 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -95.32 41.09 1.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -57.52 176.29 0.14 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.941 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 117' ' ' GLU . 11.2 t70 -134.57 140.85 46.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 116' ' ' ASP . 9.4 mm-40 -36.21 -47.86 0.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -114.25 80.64 1.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.12 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 19.8 m -60.64 -46.35 90.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.425 ' O ' ' CG ' ' A' ' 120' ' ' HIS . 42.1 p-80 -115.38 85.92 2.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.591 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.4 p -97.1 122.6 40.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.876 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -96.29 -135.22 8.31 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 66.53 86.07 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.471 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 96.3 p -165.95 166.89 17.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.967 0.413 . . . . 0.0 110.836 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -179.7 -179.26 48.76 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 124.92 11.57 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.705 2.27 . . . . 0.0 112.363 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 28.1 m -138.56 148.54 44.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 55.3 m -97.46 174.54 6.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.461 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -152.43 115.67 4.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.898 0.38 . . . . 0.0 110.857 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 t -143.93 160.44 40.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.64 -173.97 14.2 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.498 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.2 m -117.96 174.92 5.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.895 0.379 . . . . 0.0 110.818 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.7 t -152.3 122.81 7.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.462 ' O ' ' C ' ' A' ' 8' ' ' GLU . . . -98.57 51.54 1.21 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.488 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 7' ' ' GLY . 15.9 mt-10 -32.66 96.0 0.09 OUTLIER Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.618 0.723 . . . . 0.0 110.907 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.436 ' N ' ' O ' ' A' ' 7' ' ' GLY . 53.5 Cg_endo -69.83 92.43 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.664 2.243 . . . . 0.0 112.343 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -42.37 149.82 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 67.2 mtt-85 -99.43 143.91 27.31 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.555 0.693 . . . . 0.0 110.904 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -30.92 21.24 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.653 2.236 . . . . 0.0 112.321 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -70.5 158.16 36.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.444 ' N ' ' HG3' ' A' ' 13' ' ' ARG . . . -46.16 142.84 2.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.071 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.71 158.27 4.96 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.516 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -3.79 12.7 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.343 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -71.44 -42.28 68.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -49.46 -56.93 8.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.437 ' CD2' ' HB3' ' A' ' 47' ' ' GLU . 5.0 mp -71.85 -36.79 70.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.95 -9.05 9.28 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt -102.51 4.77 38.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.768 0.318 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.0 mt -89.13 -57.98 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.507 HD23 ' CZ2' ' A' ' 88' ' ' TRP . 78.1 mt -110.81 41.42 1.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -64.31 129.75 41.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.85 25.45 67.05 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.464 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.5 t -117.51 153.48 19.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.916 0.389 . . . . 0.0 111.094 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 55.0 t -126.84 141.27 46.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.8 m -133.72 141.34 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.147 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.6 t -116.62 126.15 73.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.155 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.557 HD13 ' CE1' ' A' ' 52' ' ' TYR . 96.7 mt -84.92 132.23 34.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.0 m -151.46 133.86 15.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.59 48.55 61.79 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.521 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.486 ' CZ ' HG22 ' A' ' 64' ' ' ILE . 42.3 m-85 -127.64 155.36 44.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 0.0 110.886 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -137.23 140.53 41.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.489 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 13.8 m-80 -65.36 160.93 54.83 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.622 0.725 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.4 Cg_endo -69.75 -29.18 5.84 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.648 -1.813 . . . . 0.0 112.329 -0.104 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.558 ' CZ ' HD23 ' A' ' 41' ' ' LEU . 11.1 t80 -35.37 -52.66 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 37' ' ' PHE . 9.7 tpp85 -35.41 -50.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.2 t -67.13 -55.63 13.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -43.46 -44.27 5.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.558 HD23 ' CZ ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -53.8 -54.22 41.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.956 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.504 ' HD2' ' CD2' ' A' ' 52' ' ' TYR . 29.5 ttp180 -60.39 -58.55 8.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -41.28 -51.4 3.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.504 ' HG2' ' CG ' ' A' ' 93' ' ' HIS . 43.2 mttp -66.17 -39.81 90.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.91 -33.29 75.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 69.9 mt -68.5 -49.23 61.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.963 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.437 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 12.0 mm-40 -49.68 -49.83 45.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.7 mt -57.58 -18.46 19.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.21 13.11 43.38 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.518 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.5 141.7 28.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.368 . . . . 0.0 111.067 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -85.3 128.41 34.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.557 ' CE1' HD13 ' A' ' 30' ' ' LEU . 3.8 t80 -95.89 127.91 42.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -123.67 144.63 44.99 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.608 0.718 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -24.32 29.62 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.716 2.278 . . . . 0.0 112.301 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -147.68 170.57 17.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.529 ' CH2' HG13 ' A' ' 76' ' ' VAL . 31.2 t-105 -59.27 139.11 57.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.8 p -133.87 156.59 47.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.156 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.413 ' C ' ' HD3' ' A' ' 58' ' ' ARG . 2.9 tmt_? -57.81 -29.05 64.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.71 -11.31 56.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.426 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 68.0 m -56.85 123.16 14.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 51.3 p -106.0 -41.38 5.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -128.32 152.08 48.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.624 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.3 tp -122.14 128.38 51.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.977 -1.011 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.486 HG22 ' CZ ' ' A' ' 33' ' ' PHE . 20.4 mm -90.82 98.01 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 23.4 t -100.49 144.53 29.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.93 -30.86 16.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.111 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -164.54 156.23 15.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.26 -175.46 1.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.113 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 61.39 32.34 19.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.1 p -109.79 157.12 38.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.612 0.72 . . . . 0.0 111.17 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -19.92 35.64 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.651 2.234 . . . . 0.0 112.355 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.0 tptp -96.19 -9.21 31.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -79.35 -45.7 19.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -78.27 -36.2 47.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.849 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 19.8 tp60 -55.5 -51.54 66.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.529 HG13 ' CH2' ' A' ' 56' ' ' TRP . 38.6 t -78.89 -14.93 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.172 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 38.8 tp -69.02 -44.07 73.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -74.98 -36.91 45.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.465 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 67.9 mt -54.95 -41.87 71.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.87 0.367 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 116.04 21.38 4.93 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.479 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -85.2 167.14 41.15 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.479 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -91.33 98.23 11.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.826 0.345 . . . . 0.0 110.895 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 33.1 mt -85.0 115.05 26.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.0 m -134.67 160.17 41.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -79.05 167.01 21.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.6 pttt -65.07 -31.99 73.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.0 -28.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.507 ' CZ2' HD23 ' A' ' 23' ' ' LEU . 23.2 t90 -62.8 -49.2 75.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 71.4 t -70.12 -48.91 59.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.077 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 58.5 mt -47.42 -59.27 3.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -61.01 -46.47 90.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 17.4 m -52.37 -37.23 55.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.504 ' CG ' ' HG2' ' A' ' 44' ' ' LYS . 59.3 t-80 -80.43 -57.7 3.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.563 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -44.74 -39.15 4.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 32.0 mtm -102.0 -10.52 19.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.9 mtm-85 48.3 42.9 18.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.1 ptp85 -139.39 154.83 47.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -69.47 121.06 16.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.819 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 84.1 mt -111.65 144.07 29.86 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.619 0.723 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 109.2 2.26 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.35 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.6 p -64.73 -13.18 53.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -61.69 -25.6 67.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 16.2 mtt85 -86.81 -24.74 24.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -103.9 28.87 6.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.5 mt -78.1 128.28 33.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.7 mtp -87.21 -59.17 2.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -118.47 161.93 19.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.129 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 82.87 155.71 18.96 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -45.06 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.31 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 169.43 -160.48 33.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.438 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 65.5 p -64.31 97.32 0.19 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.822 0.344 . . . . 0.0 110.857 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 33.4 m -94.07 38.92 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.9 t 53.13 48.68 21.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.844 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.1 6.72 41.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -65.86 170.22 5.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -52.78 161.87 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -92.23 -44.69 8.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -161.78 116.56 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.108 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.0 m -124.48 171.47 9.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.83 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -154.69 154.13 32.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.582 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 33.9 t -155.07 149.3 25.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 114.977 -1.011 . . . . 0.0 110.866 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -125.21 -70.71 0.2 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.439 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.06 133.58 7.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 28.2 p -128.76 127.8 42.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.906 0.384 . . . . 0.0 110.878 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 128.32 -94.56 0.38 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.458 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -38.77 7.31 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.686 2.257 . . . . 0.0 112.312 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 67.1 m -57.42 123.88 17.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.9 t -44.74 -42.61 7.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.6 m -155.79 124.13 5.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.87 0.367 . . . . 0.0 110.815 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 m -132.97 142.69 48.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.67 143.92 10.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.453 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.9 m -51.41 158.91 0.77 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.882 0.372 . . . . 0.0 110.851 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 t -144.84 147.93 33.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.74 -156.82 19.71 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.464 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -79.07 144.02 62.37 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.623 0.725 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 125.33 12.0 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.32 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.61 51.64 0.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.405 ' C ' ' HD3' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -89.68 139.22 27.87 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.618 0.723 . . . . 0.0 110.846 -179.877 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 170.28 17.01 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.668 2.246 . . . . 0.0 112.32 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.3 mtm180 -54.05 -37.32 64.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -153.69 138.48 17.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.068 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -139.71 -156.96 7.1 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.517 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 2.53 3.48 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.698 2.265 . . . . 0.0 112.337 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -76.31 -46.04 29.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -77.51 -25.86 50.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -79.53 -48.75 13.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.9 -16.37 5.85 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.458 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.07 -22.36 22.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.792 0.33 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.422 HD13 ' C ' ' A' ' 96' ' ' ARG . 37.2 mt -62.94 -58.33 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.142 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.466 HD12 ' CD1' ' A' ' 48' ' ' LEU . 19.1 mt -109.37 39.96 1.96 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -60.15 124.12 19.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.85 32.27 53.93 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.462 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.5 t -116.35 150.36 18.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 111.13 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -130.52 116.97 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.3 m -110.1 140.52 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.9 t -117.65 125.42 74.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.14 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.3 mt -82.11 126.98 32.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 t -152.43 107.49 3.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.824 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.04 40.2 2.91 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -126.59 163.65 22.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 110.92 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -141.56 123.86 15.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.481 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -55.5 160.7 3.56 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 110.902 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.481 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 54.0 Cg_endo -69.75 -11.0 11.75 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.375 -0.066 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -39.17 -54.13 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' A' ' 35' ' ' ASN . 37.5 mtp180 -44.12 -68.49 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.3 m -44.58 -62.59 1.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -43.57 -50.93 7.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.5 tp -57.69 -64.67 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.566 ' HG3' ' CD2' ' A' ' 52' ' ' TYR . 16.9 ttt180 -37.86 -54.8 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -43.69 -66.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.6 mttt -49.34 -42.04 40.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.63 -40.26 87.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.7 mt -63.78 -35.76 81.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -56.92 -51.17 70.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.466 ' CD1' HD12 ' A' ' 23' ' ' LEU . 12.6 mt -59.46 -11.93 5.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.34 20.09 43.02 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.479 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.31 147.19 23.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 0.0 111.133 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -91.71 128.71 37.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.566 ' CD2' ' HG3' ' A' ' 42' ' ' ARG . 0.4 OUTLIER -98.17 109.86 22.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 -105.53 142.91 25.74 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.618 0.723 . . . . 0.0 110.844 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -16.89 37.71 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.713 2.275 . . . . 0.0 112.346 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.8 p30 -148.65 163.32 37.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.547 ' CZ3' ' HB3' ' A' ' 60' ' ' SER . 61.6 t-105 -71.04 105.08 3.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 78.9 p -91.27 -178.52 5.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.149 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -82.42 1.0 39.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -110.78 -9.89 14.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.547 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 39.9 m -55.16 129.76 39.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.826 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.434 ' OG1' ' ND1' ' A' ' 62' ' ' HIS . 72.7 p -109.5 -32.27 7.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.116 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.553 ' CD2' ' HD2' ' A' ' 82' ' ' ARG . 3.7 m80 -138.44 144.56 40.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.581 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.523 ' HB2' ' CZ3' ' A' ' 56' ' ' TRP . 20.8 tp -114.46 122.84 47.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.999 -1.001 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.419 HD13 ' CG2' ' A' ' 89' ' ' VAL . 23.8 mm -89.1 91.06 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 34.3 t -93.08 144.2 25.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.6 -31.46 19.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.069 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -163.2 151.05 13.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.44 -178.0 1.02 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.123 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 31.9 m-20 61.75 51.83 3.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.7 p -128.7 157.1 76.31 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.591 0.71 . . . . 0.0 111.115 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -19.18 36.41 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.654 2.236 . . . . 0.0 112.362 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.2 tptp -94.89 -32.66 13.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.568 ' CE1' HD13 ' A' ' 77' ' ' LEU . 14.0 t80 -57.03 -57.85 10.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 t -60.9 -52.46 64.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.839 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -43.3 -58.88 2.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.937 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.466 HG13 ' CZ2' ' A' ' 56' ' ' TRP . 39.2 t -67.21 -15.01 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.568 HD13 ' CE1' ' A' ' 73' ' ' TYR . 3.3 tt -75.19 -47.96 25.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.95 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.64 -36.29 67.49 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.9 mt -55.39 -46.88 76.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.857 0.36 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 121.41 30.18 1.33 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.487 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -97.3 168.56 24.35 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.45 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.553 ' HD2' ' CD2' ' A' ' 62' ' ' HIS . 10.7 ttm180 -89.93 97.85 11.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.78 0.324 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.9 mt -84.87 112.86 22.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.167 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.3 m -126.19 164.81 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 25.1 mtt85 -83.55 166.64 18.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -65.12 -44.24 89.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.25 -28.87 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 23.8 t90 -50.59 -51.26 50.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.419 ' CG2' HD13 ' A' ' 64' ' ' ILE . 66.7 t -68.73 -50.06 58.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 34.7 mt -49.64 -59.63 3.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -59.54 -57.88 11.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 96' ' ' ARG . 15.9 m -42.0 -55.66 3.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.411 ' O ' ' N ' ' A' ' 96' ' ' ARG . 44.5 t-80 -57.5 -59.81 4.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.631 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.3 tpt85 -39.8 -59.99 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 5.5 mtm -77.56 -12.18 59.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 92' ' ' CYS . 70.3 mtt-85 50.34 46.94 24.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -147.8 164.46 33.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -79.7 98.96 7.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 47.1 mt -83.61 153.87 65.03 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.646 0.736 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 100.94 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.715 2.277 . . . . 0.0 112.351 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.1 t -58.47 -31.1 67.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.487 ' HA ' ' CD1' ' A' ' 105' ' ' LEU . 6.2 pt20 -47.5 -31.99 4.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -73.21 -30.05 63.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -97.32 -13.88 21.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.487 ' CD1' ' HA ' ' A' ' 102' ' ' GLN . 22.7 mt -52.77 107.51 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.4 mtp -74.58 -54.59 7.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.0 166.84 0.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.125 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.11 -160.37 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.501 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 88.31 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.662 2.241 . . . . 0.0 112.377 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -99.63 -51.22 1.32 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 94.4 p -84.69 79.59 9.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.919 0.39 . . . . 0.0 110.891 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 113' ' ' SER . 53.9 m -71.57 80.32 0.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 112' ' ' SER . 1.9 t 37.6 40.54 0.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -107.89 80.58 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -83.15 124.86 30.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -47.18 151.89 0.64 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -131.4 -56.33 1.02 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 63.97 49.92 2.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.9 t -116.24 -51.13 2.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.819 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -84.65 59.14 5.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.628 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.2 m -152.33 157.12 40.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.877 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -76.6 66.61 2.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.489 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -84.08 -89.91 0.78 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 69.9 m 63.26 40.08 9.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.913 0.387 . . . . 0.0 110.854 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 97.53 -110.32 4.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 137.53 35.57 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.658 2.238 . . . . 0.0 112.334 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 97.0 p -127.22 161.75 27.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 6.1 t -102.9 -48.95 3.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.522 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -173.21 171.72 4.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.37 . . . . 0.0 110.831 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.5 p -156.69 161.96 39.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.09 135.14 1.77 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -149.15 164.58 34.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.843 0.354 . . . . 0.0 110.913 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.7 p -171.61 164.18 6.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.94 136.71 2.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.464 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.479 ' N ' ' OE1' ' A' ' 8' ' ' GLU . 7.1 pm0 -172.66 143.74 1.22 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.625 0.726 . . . . 0.0 110.904 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 114.11 3.59 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.685 2.257 . . . . 0.0 112.369 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.426 ' HD2' ' C ' ' A' ' 10' ' ' ARG . 6.2 tmm_? -138.19 132.04 31.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -77.57 139.86 63.59 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.591 0.71 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 131.67 21.72 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.671 2.248 . . . . 0.0 112.34 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.418 ' NH1' ' HG2' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -162.26 158.92 25.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.92 176.05 6.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 152.15 -153.91 25.21 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.483 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -0.41 6.93 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.628 2.219 . . . . 0.0 112.336 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.498 ' C ' ' CD ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -80.24 -59.13 2.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -60.35 -52.05 66.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.1 mp -59.54 -37.76 79.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.61 -13.19 22.83 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.491 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -93.84 -0.46 55.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.773 0.32 . . . . 0.0 110.942 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.46 HD11 ' CA ' ' A' ' 97' ' ' ARG . 7.1 mt -83.0 -57.85 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.7 mt -110.89 43.11 1.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -68.06 120.84 14.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.0 29.17 23.78 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.452 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.5 t -122.09 147.29 26.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.84 0.352 . . . . 0.0 111.125 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.4 t -123.47 117.72 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.1 m -108.12 133.76 52.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.3 t -110.78 123.45 66.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.3 mt -82.99 116.68 22.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.9 t -142.66 106.24 4.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.468 ' O ' ' CB ' ' A' ' 66' ' ' ALA . . . 106.91 34.4 3.01 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.549 ' CZ ' HG23 ' A' ' 64' ' ' ILE . 66.9 m-85 -127.52 160.95 29.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 0.0 110.855 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.485 ' O ' ' CB ' ' A' ' 37' ' ' PHE . 40.3 tt0 -137.05 129.33 29.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.539 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 8.2 p30 -53.77 151.71 11.09 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.621 0.724 . . . . 0.0 110.931 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.8 Cg_endo -69.75 -15.24 12.47 Favored 'Cis proline' 0 C--N 1.341 0.146 0 C-N-CA 122.748 -1.772 . . . . 0.0 112.325 0.01 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.485 ' CB ' ' O ' ' A' ' 34' ' ' GLN . 2.0 t80 -36.84 -47.51 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 35' ' ' ASN . 25.8 mtt180 -51.23 -70.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.6 t -48.12 -57.21 6.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -46.68 -50.36 17.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.0 tp -55.78 -48.88 74.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.559 ' HD2' ' CD2' ' A' ' 52' ' ' TYR . 26.0 ttt180 -60.82 -55.36 34.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -40.12 -57.2 1.73 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.45 ' HG2' ' ND1' ' A' ' 93' ' ' HIS . 66.1 mttt -59.55 -43.42 93.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.32 -32.69 72.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 72.6 mt -70.74 -43.54 68.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.02 -54.0 28.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.6 mt -53.19 -23.19 7.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.75 23.77 7.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.545 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.25 150.33 22.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 111.095 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.27 143.07 26.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.559 ' CD2' ' HD2' ' A' ' 42' ' ' ARG . 5.0 t80 -108.18 114.7 28.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.0 mmp_? -103.13 143.75 27.24 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.625 0.726 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -19.51 35.99 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.639 2.226 . . . . 0.0 112.353 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -159.37 164.34 34.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.564 ' CH2' HG11 ' A' ' 76' ' ' VAL . 67.0 t-105 -62.2 116.59 5.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.2 t -123.14 172.71 8.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.144 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -64.2 -13.86 51.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.23 -6.39 38.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.836 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.467 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 72.5 m -78.21 118.14 20.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 72.3 p -94.91 -56.3 2.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.135 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.491 ' CE1' HH21 ' A' ' 82' ' ' ARG . 1.0 OUTLIER -112.02 141.06 46.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.614 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.0 tp -107.55 117.89 35.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.945 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.549 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 45.8 mm -81.41 91.06 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.077 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 49.6 t -89.39 127.04 35.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.524 ' HB1' ' CE2' ' A' ' 67' ' ' PHE . . . -75.82 -30.14 58.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.524 ' CE2' ' HB1' ' A' ' 66' ' ' ALA . 1.0 OUTLIER -166.07 148.21 7.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.55 -175.02 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 60.01 41.94 16.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -121.15 159.69 48.48 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.558 0.694 . . . . 0.0 111.145 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -32.42 18.81 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.684 2.256 . . . . 0.0 112.378 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -82.68 -28.68 30.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -62.48 -43.61 98.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 m -82.98 -10.49 58.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -79.62 -33.63 41.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.937 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.564 HG11 ' CH2' ' A' ' 56' ' ' TRP . 39.8 t -93.59 -14.91 8.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 51.0 tp -70.92 -38.71 72.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -79.46 -38.82 20.13 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 39.3 mt -55.47 -49.06 73.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.343 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 129.88 11.15 2.67 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.484 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -81.76 165.26 45.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.494 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.491 HH21 ' CE1' ' A' ' 62' ' ' HIS . 11.4 ttp180 -90.72 113.06 25.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 0.0 110.831 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 18.6 mt -95.39 115.22 33.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 16.4 m -131.66 159.1 43.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.148 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 -75.1 177.49 6.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.7 pttm -78.83 -31.92 45.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -41.86 -30.44 0.25 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 26.1 t90 -59.39 -47.44 85.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.959 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 80.0 t -71.68 -55.76 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 77.8 mt -44.22 -55.12 5.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.444 ' HB3' ' CD1' ' A' ' 99' ' ' LEU . 4.4 m-20 -64.41 -45.29 88.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 3.7 m -50.1 -49.03 52.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.469 ' O ' ' N ' ' A' ' 96' ' ' ARG . 21.8 t-80 -72.56 -60.82 2.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.602 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.8 tpt85 -40.88 -38.04 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 4.4 mtm -97.88 -15.22 20.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 93' ' ' HIS . 37.3 mtt180 55.09 45.39 26.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.46 ' CA ' HD11 ' A' ' 22' ' ' ILE . 9.2 ptp180 -145.27 -179.76 6.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 59.8 ttt-85 -99.85 117.52 34.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.444 ' CD1' ' HB3' ' A' ' 91' ' ' ASP . 74.2 mt -107.11 149.67 38.92 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.652 0.739 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 108.24 2.04 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.682 2.254 . . . . 0.0 112.386 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.4 p -63.44 -15.94 59.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -61.95 -29.75 70.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -77.47 -29.83 52.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -96.66 22.33 8.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.2 mt -69.07 128.19 35.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.3 mmt -82.12 -59.79 2.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -114.38 159.6 20.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.051 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 132.26 145.94 5.59 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 -41.24 4.37 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.642 2.228 . . . . 0.0 112.376 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 159.86 157.19 8.48 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.479 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 43.9 p -45.52 -54.69 7.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.862 0.363 . . . . 0.0 110.866 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 12.4 t 40.65 42.64 1.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.909 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.9 m 63.6 42.82 6.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.803 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -117.71 39.48 3.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -69.11 171.97 7.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.27 122.36 20.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -93.23 -18.8 22.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -104.62 83.22 2.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.098 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.3 t -109.54 86.39 2.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 56.1 m80 -70.67 145.52 50.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.565 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.2 t -161.11 173.83 14.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.99 -1.004 . . . . 0.0 110.836 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 97.19 -58.11 1.19 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -71.47 95.37 0.6 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.479 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.5 t -69.47 -22.68 63.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.934 0.397 . . . . 0.0 110.874 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 128.1 -66.14 0.57 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.513 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 111.71 2.89 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.743 2.295 . . . . 0.0 112.304 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 58.6 m 42.45 45.69 3.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.49 -37.94 1.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.524 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.3 p -140.82 128.9 22.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.905 0.384 . . . . 0.0 110.885 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 t -156.43 147.6 22.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.825 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.91 130.11 10.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.514 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -169.26 135.32 1.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 0.0 110.827 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.3 p -135.47 171.58 14.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.15 95.98 2.38 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.453 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -133.18 146.33 60.56 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.591 0.71 . . . . 0.0 110.908 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 159.2 54.29 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.735 2.29 . . . . 0.0 112.343 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -121.43 150.53 41.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 85.4 mtt-85 -147.7 137.01 11.86 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.56 0.695 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -50.77 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.673 2.248 . . . . 0.0 112.381 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.3 tpp180 -42.25 142.54 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.59 115.63 20.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -136.69 -158.05 7.9 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.485 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 1.73 4.21 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.642 2.228 . . . . 0.0 112.287 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -91.7 -43.83 9.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.853 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -55.93 -48.9 74.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -73.07 -43.56 61.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.941 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.96 -17.06 34.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -86.9 -3.64 59.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.76 0.314 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.419 HD12 ' C ' ' A' ' 96' ' ' ARG . 49.5 mt -87.41 -56.88 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.544 HD22 ' CZ2' ' A' ' 88' ' ' TRP . 16.8 mt -105.56 38.26 2.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -62.22 113.34 2.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.17 29.51 14.7 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.454 HG11 ' N ' ' A' ' 27' ' ' VAL . 95.8 t -120.23 153.07 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.89 0.376 . . . . 0.0 111.108 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.454 ' N ' HG11 ' A' ' 26' ' ' VAL . 48.0 t -132.33 127.87 57.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.076 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.4 m -117.78 153.93 19.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 63.1 t -125.73 129.91 72.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.6 mt -84.09 128.67 34.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 82.5 p -147.87 126.84 12.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 73.39 42.91 39.97 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.423 ' CZ ' HG21 ' A' ' 64' ' ' ILE . 41.3 m-85 -128.48 152.62 48.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.331 . . . . 0.0 110.881 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -139.78 142.82 36.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.941 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.496 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.4 OUTLIER -66.08 160.48 63.48 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.603 0.716 . . . . 0.0 110.911 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.8 Cg_endo -69.77 -33.43 3.42 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.385 -0.055 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.433 ' C ' ' O ' ' A' ' 36' ' ' PRO . 75.4 t80 -35.37 -53.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 37' ' ' PHE . 10.0 ttt180 -36.77 -50.12 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.2 m -72.94 -36.91 67.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 37' ' ' PHE . 40.9 tt0 -54.48 -51.77 64.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 tt -60.66 -60.78 3.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.3 ttt-85 -39.8 -59.12 1.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -47.24 -49.92 22.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -60.09 -47.93 83.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.67 -38.09 74.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.072 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 71.0 mt -62.83 -45.22 93.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -48.26 -54.19 14.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.2 mt -50.72 -18.51 0.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 100.84 20.35 14.67 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.443 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.18 144.51 26.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 0.0 111.105 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -85.15 139.7 31.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -101.19 118.23 36.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -108.17 143.85 28.23 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.614 0.721 . . . . 0.0 110.843 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -11.47 30.91 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.654 2.236 . . . . 0.0 112.323 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -168.13 172.6 8.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.496 ' CZ2' HG13 ' A' ' 76' ' ' VAL . 67.8 t-105 -67.08 113.05 4.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.419 ' OG1' ' N ' ' A' ' 58' ' ' ARG . 0.1 OUTLIER -117.44 169.73 9.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.159 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.419 ' N ' ' OG1' ' A' ' 57' ' ' THR . 47.8 mmm-85 -66.47 -16.44 64.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -92.46 -3.22 55.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.6 m -83.44 128.24 34.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.839 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 81.1 p -104.38 -34.56 8.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.14 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 44.4 m80 -130.26 152.72 49.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.554 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.4 tp -121.07 137.46 54.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.423 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 22.1 mm -104.38 95.78 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.0 t -100.58 131.67 46.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.0 -33.33 74.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.103 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -166.77 160.62 14.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.66 -178.5 2.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.117 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 63.44 42.23 6.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.2 p -122.02 158.72 54.29 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.555 0.693 . . . . 0.0 111.162 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -19.29 36.0 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.689 2.259 . . . . 0.0 112.359 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -95.28 -21.34 18.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -76.12 -42.8 45.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.1 t -79.07 -22.18 45.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -73.36 -49.13 28.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.496 HG13 ' CZ2' ' A' ' 56' ' ' TRP . 43.2 t -78.39 -14.85 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 26.4 tp -73.89 -33.38 64.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -81.31 -29.26 41.23 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.47 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 41.4 mt -65.73 -47.43 75.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.824 0.345 . . . . 0.0 110.931 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 122.41 17.96 3.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -82.89 169.77 48.91 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.529 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.458 ' CZ ' HD22 ' A' ' 105' ' ' LEU . 3.3 tpm_? -88.47 99.24 12.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.781 0.324 . . . . 0.0 110.885 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 27.4 mt -87.5 120.05 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.9 m -136.25 149.75 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.104 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 31.7 mtt-85 -59.2 -176.91 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.4 pttp -89.06 -9.06 52.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 88' ' ' TRP . 55.7 mm-40 -68.24 -42.83 79.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.544 ' CZ2' HD22 ' A' ' 23' ' ' LEU . 34.6 t90 -36.25 -71.24 0.07 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.429 ' O ' ' C ' ' A' ' 90' ' ' LEU . 1.3 p -47.51 -65.81 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 89' ' ' VAL . 90.5 mt -35.1 -59.4 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -52.99 -43.33 66.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 89' ' ' VAL . 71.9 m -58.57 -42.72 88.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -71.46 -38.04 71.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.546 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -59.48 -52.7 64.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 21.7 mtm -89.85 -4.09 57.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.419 ' C ' HD12 ' A' ' 22' ' ' ILE . 49.6 mtt180 46.77 44.61 14.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -147.19 156.47 42.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.402 ' N ' HG21 ' A' ' 22' ' ' ILE . 4.9 ttp180 -69.51 113.16 6.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 65.1 mt -105.05 150.21 38.49 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.59 0.71 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 121.05 7.73 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.659 2.239 . . . . 0.0 112.331 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 92.2 p -80.16 -12.21 59.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -63.75 -28.18 69.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 66.2 mtt85 -82.26 -18.11 43.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -99.88 3.4 44.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.93 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.458 HD22 ' CZ ' ' A' ' 82' ' ' ARG . 13.7 mt -50.26 131.09 23.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.5 mmt -87.43 -56.13 3.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -109.64 179.81 4.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.79 144.03 0.76 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.457 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -47.59 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.697 2.265 . . . . 0.0 112.353 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 112' ' ' SER . . . -175.63 143.25 6.53 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 89.8 p -57.43 80.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.88 0.371 . . . . 0.0 110.831 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 110' ' ' GLY . 88.7 p -112.58 -47.76 3.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.841 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 58.6 m -41.01 -54.32 2.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.899 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -120.05 90.15 3.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.854 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -78.51 148.13 33.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -94.82 152.6 18.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -79.83 -33.66 40.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -172.85 137.85 0.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 63.1 p -49.93 -20.5 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 46.5 p-80 -102.89 100.26 10.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.617 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 40.7 t -66.54 90.11 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.837 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -124.17 128.08 6.69 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -170.2 -55.52 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.432 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 12.4 m -64.67 -57.76 8.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.922 0.391 . . . . 0.0 110.902 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 157.73 -160.66 30.85 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.529 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 135.93 31.58 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.663 2.242 . . . . 0.0 112.33 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 42.0 p -135.88 126.27 26.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 6.2 t -108.86 148.27 30.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.469 179.976 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 p -156.93 138.49 14.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.874 0.369 . . . . 0.0 110.846 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.6 p -139.37 169.46 17.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.34 83.5 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 t -166.48 119.11 1.03 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.872 0.368 . . . . 0.0 110.88 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.9 p -136.76 144.77 43.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.53 108.91 0.93 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.451 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -124.69 146.69 53.59 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.65 0.738 . . . . 0.0 110.843 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 82.83 0.72 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.699 2.266 . . . . 0.0 112.39 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.9 ttt85 -91.76 27.83 1.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.468 ' CG ' ' HD2' ' A' ' 12' ' ' PRO . 46.4 ttm-85 -51.75 139.57 30.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.608 0.718 . . . . 0.0 110.893 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 11' ' ' ARG . 53.4 Cg_endo -69.79 -50.74 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.709 2.272 . . . . 0.0 112.318 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -97.34 129.89 44.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.49 150.31 48.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -133.86 -158.52 8.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.55 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 2.19 3.74 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.667 2.245 . . . . 0.0 112.338 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -82.43 -54.2 5.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -53.01 -34.44 56.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.458 HD11 ' N ' ' A' ' 19' ' ' LEU . 7.1 mp -81.89 -30.98 31.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.04 -7.75 14.15 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm -103.37 5.24 37.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.789 0.328 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.1 mt -90.79 -58.46 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.478 HD22 ' CZ2' ' A' ' 88' ' ' TRP . 28.5 mt -107.95 43.55 1.2 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.7 tp60 -70.34 113.26 7.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.08 26.11 13.12 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.0 t -117.47 147.69 20.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.914 0.388 . . . . 0.0 111.112 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 90.9 t -124.54 108.34 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.4 m -103.23 153.3 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.4 t -130.44 127.67 62.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.3 mt -82.13 126.48 32.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.959 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.6 p -151.42 124.64 8.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.12 28.26 18.37 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.493 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -121.66 161.74 21.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.766 0.317 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -135.72 121.28 19.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.511 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 1.3 p-10 -50.62 154.16 2.44 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.573 0.702 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.4 Cg_endo -69.85 -15.01 12.69 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.355 -0.02 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 36' ' ' PRO . 3.5 t80 -36.08 -63.37 0.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.45 ' CG ' ' N ' ' A' ' 39' ' ' SER . 16.8 ptt180 -45.0 -45.26 10.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.45 ' N ' ' CG ' ' A' ' 38' ' ' ARG . 1.8 t -61.3 -57.52 12.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -52.24 -55.68 19.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 37.8 tp -50.11 -37.11 32.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -68.61 -49.58 58.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -46.69 -48.02 20.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -67.18 -43.23 82.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.11 -32.04 53.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 26.4 mt -76.28 -45.99 29.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -48.64 -40.56 28.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.0 mt -67.78 -24.52 65.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.99 15.02 17.43 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.53 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.24 151.57 20.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 111.106 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.3 mttp -89.84 142.61 27.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.926 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -110.3 119.92 40.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -117.94 144.05 33.86 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.624 0.726 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -25.82 28.21 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.658 2.239 . . . . 0.0 112.337 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.407 ' CG ' ' N ' ' A' ' 56' ' ' TRP . 3.2 t70 -144.79 163.04 35.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.856 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.527 ' CZ3' ' HB3' ' A' ' 60' ' ' SER . 69.0 t-105 -54.54 109.96 0.57 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 69.2 p -97.67 160.58 14.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.143 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.7 tpt85 -65.62 -18.89 65.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -93.84 -2.05 54.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.527 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 67.1 m -60.96 122.15 14.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.457 ' HB ' ' CE1' ' A' ' 62' ' ' HIS . 33.2 p -104.45 -31.4 9.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.457 ' CE1' ' HB ' ' A' ' 61' ' ' THR . 3.7 m80 -144.14 136.05 26.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.591 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.444 HD21 ' CG2' ' A' ' 76' ' ' VAL . 11.5 tp -104.4 130.45 52.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.949 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.428 HD13 ' CG2' ' A' ' 89' ' ' VAL . 3.6 mm -96.77 91.38 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 22.7 t -90.26 158.98 16.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.95 -38.07 8.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.13 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -157.38 145.51 19.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.64 -179.47 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 63.54 35.17 12.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.37 158.98 34.66 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.597 0.713 . . . . 0.0 111.147 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -31.21 20.96 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.663 2.242 . . . . 0.0 112.331 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -82.86 -26.24 31.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.548 ' CE2' HD13 ' A' ' 77' ' ' LEU . 75.4 t80 -63.19 -58.58 6.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 27.5 t -59.66 -34.54 72.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.835 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -56.91 -52.24 65.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.518 HG13 ' CH2' ' A' ' 56' ' ' TRP . 40.2 t -77.19 -14.98 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.176 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.548 HD13 ' CE2' ' A' ' 73' ' ' TYR . 1.5 tt -70.99 -52.49 19.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.939 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.38 -37.89 80.1 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.516 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 32.1 mt -56.4 -51.07 69.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 0.0 110.936 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 129.37 12.25 2.58 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.498 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -74.95 160.97 53.14 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -89.18 99.07 12.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.739 0.304 . . . . 0.0 110.9 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 11.1 mt -87.0 123.67 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.4 m -139.42 172.01 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.453 ' HB3' ' CZ ' ' A' ' 85' ' ' ARG . 2.7 mmm180 -75.15 175.74 7.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -84.27 -32.03 24.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -44.55 -30.7 0.94 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.478 ' CZ2' HD22 ' A' ' 23' ' ' LEU . 24.0 t90 -49.08 -58.65 4.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.428 ' CG2' HD13 ' A' ' 64' ' ' ILE . 42.7 t -62.05 -57.68 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 33.1 mt -45.21 -69.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -50.19 -43.72 52.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 2.3 m -55.06 -44.43 74.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.467 ' O ' ' N ' ' A' ' 96' ' ' ARG . 47.6 t-80 -74.45 -62.11 1.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.602 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -40.62 -35.39 0.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 7.4 mtm -101.93 -15.74 16.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 93' ' ' HIS . 13.0 mtm-85 55.64 44.28 26.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -139.72 170.05 16.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 25.9 ttt-85 -94.31 103.52 15.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 43.9 mt -90.69 148.26 38.11 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.605 0.717 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 104.78 1.37 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.693 2.262 . . . . 0.0 112.343 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.445 ' OG ' ' CE2' ' A' ' 88' ' ' TRP . 60.0 m -64.16 -15.41 59.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -66.51 -11.48 52.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -94.86 -15.11 23.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -107.0 0.8 23.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 23.2 mt -49.21 114.84 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 28.5 mtp -85.09 -52.31 6.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -82.57 166.81 18.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.062 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 65.85 147.55 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -26.14 27.95 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.699 2.266 . . . . 0.0 112.361 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 160.38 111.08 0.28 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.476 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.4 m -80.3 87.57 5.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.369 . . . . 0.0 110.84 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.7 m -103.93 78.05 1.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.877 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 57.4 m 61.66 39.99 13.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.848 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -115.0 93.26 4.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -101.75 167.98 9.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -119.23 151.63 38.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -72.72 -44.47 61.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -171.66 117.08 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 56.8 m -68.51 135.33 51.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -105.95 102.75 12.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.595 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 69.5 p -80.39 -52.19 7.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.892 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 108.64 -101.26 1.52 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -95.97 177.97 34.4 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.54 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.4 m -158.83 177.18 11.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.906 0.384 . . . . 0.0 110.893 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 85.8 146.67 9.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.482 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 109.63 2.36 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.634 2.222 . . . . 0.0 112.341 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 45.7 t -135.86 134.21 38.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.822 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 14.7 m 39.34 42.19 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 -179.973 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 t -39.96 -60.53 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.861 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m 61.57 41.58 12.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.845 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.35 101.36 0.6 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.0 m -107.65 156.63 18.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.892 0.377 . . . . 0.0 110.844 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -124.67 129.4 50.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.95 -128.8 2.97 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -143.71 148.83 44.52 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.627 0.727 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -174.41 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.69 2.26 . . . . 0.0 112.336 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.6 ttt-85 66.66 40.16 3.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -136.28 151.68 73.75 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.623 0.725 . . . . 0.0 110.833 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -26.07 27.77 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.655 2.237 . . . . 0.0 112.384 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -75.03 142.81 43.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -110.06 39.26 2.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.64 146.29 0.91 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -0.55 7.1 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.682 2.254 . . . . 0.0 112.333 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.514 ' CD ' ' N ' ' A' ' 18' ' ' GLU . 0.2 OUTLIER -62.9 -65.96 0.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.514 ' N ' ' CD ' ' A' ' 17' ' ' GLU . 3.7 tp10 -53.44 -50.26 65.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.444 HD22 ' N ' ' A' ' 19' ' ' LEU . 4.6 mm? -59.7 -46.94 87.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.55 -14.92 51.92 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.506 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -92.83 8.97 37.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.756 0.312 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.8 mt -91.59 -56.91 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.488 HD22 ' CZ2' ' A' ' 88' ' ' TRP . 54.0 mt -108.07 34.37 3.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -60.4 110.86 1.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.941 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.48 23.9 15.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.511 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.458 HG11 ' N ' ' A' ' 27' ' ' VAL . 57.7 t -119.49 152.85 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.37 . . . . 0.0 111.133 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.458 ' N ' HG11 ' A' ' 26' ' ' VAL . 14.3 t -130.97 127.3 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.1 m -118.91 165.23 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 75.2 t -138.51 136.74 43.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.0 mt -88.98 117.41 27.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.3 t -131.2 108.41 9.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.82 49.75 3.5 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.493 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.653 ' CZ ' ' CD2' ' A' ' 41' ' ' LEU . 58.8 m-85 -129.17 156.55 43.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.77 0.319 . . . . 0.0 110.892 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -142.37 134.69 27.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.525 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 1.2 p30 -62.08 154.18 70.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.621 0.724 . . . . 0.0 110.855 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 54.3 Cg_endo -69.75 -29.42 5.71 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.733 -1.778 . . . . 0.0 112.346 -0.096 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.44 ' C ' ' O ' ' A' ' 36' ' ' PRO . 9.2 t80 -35.27 -58.41 0.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.5 ttt85 -42.45 -49.51 5.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.6 t -67.26 -60.48 2.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.819 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -43.44 -39.68 3.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.653 ' CD2' ' CZ ' ' A' ' 33' ' ' PHE . 33.8 tp -67.62 -53.24 29.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.6 ttt-85 -49.3 -48.64 46.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -49.33 -62.59 1.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.824 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -44.87 -48.77 11.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.93 -44.52 74.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.122 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 31.9 mt -64.79 -43.65 92.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.46 -44.94 73.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.4 mt -60.39 -23.37 64.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.94 19.01 9.92 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.28 153.02 18.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.896 0.379 . . . . 0.0 111.101 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.455 ' N ' ' HD3' ' A' ' 51' ' ' LYS . 3.1 mppt? -93.17 139.12 30.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -103.49 112.37 25.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.402 ' NH1' HG23 ' A' ' 57' ' ' THR . 18.2 mmt85 -104.3 145.21 30.23 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.597 0.713 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -33.13 17.16 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.351 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -137.44 163.57 30.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.551 ' CZ3' ' HB2' ' A' ' 63' ' ' LEU . 76.1 t-105 -64.99 79.48 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.402 HG23 ' NH1' ' A' ' 53' ' ' ARG . 3.9 t -83.34 158.76 22.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.112 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -54.31 -22.23 11.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -79.41 -23.38 43.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 m -71.14 127.36 32.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 82.8 p -103.45 -47.18 4.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.148 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -109.82 149.98 29.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.588 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.551 ' HB2' ' CZ3' ' A' ' 56' ' ' TRP . 13.9 tp -120.17 116.15 25.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.7 mm -84.38 96.72 4.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 23.8 t -99.16 111.62 23.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.03 -42.25 60.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.088 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -157.61 147.39 20.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.28 -178.6 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.0 m120 69.01 32.68 3.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.7 p -112.14 156.28 42.18 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.594 0.711 . . . . 0.0 111.168 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -17.56 37.87 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.712 2.274 . . . . 0.0 112.377 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.2 mmtm -95.12 -23.25 17.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -72.78 -41.04 65.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.7 t -79.91 -18.35 50.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -79.4 -51.67 9.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.483 HG12 ' CZ2' ' A' ' 56' ' ' TRP . 39.3 t -72.48 -14.96 17.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 33.6 tp -71.43 -43.57 66.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -74.32 -36.15 50.89 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.498 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.9 mt -60.62 -41.5 94.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.812 0.339 . . . . 0.0 110.924 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 116.93 35.49 1.13 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -97.77 160.71 21.02 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.451 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.478 ' NE ' ' HA ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -84.71 99.06 10.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.778 0.323 . . . . 0.0 110.877 -179.864 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 47.2 mt -89.36 110.7 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.155 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 8.1 m -127.67 152.48 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.452 ' HG3' ' CG ' ' A' ' 106' ' ' MET . 18.1 mtt-85 -73.44 150.73 41.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.3 pttm -50.67 -26.61 5.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -46.52 -44.56 17.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.488 ' CZ2' HD22 ' A' ' 23' ' ' LEU . 32.6 t90 -46.9 -47.4 21.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 86.3 t -69.22 -58.9 4.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.7 mt -44.0 -47.28 8.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -67.13 -51.57 52.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.411 ' N ' HD11 ' A' ' 99' ' ' LEU . 44.8 m -47.07 -51.67 17.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -66.67 -52.14 48.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.571 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.472 ' CZ ' ' CG ' ' A' ' 95' ' ' MET . 3.9 tmm_? -42.91 -57.92 2.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.472 ' CG ' ' CZ ' ' A' ' 94' ' ' ARG . 8.2 mtm -83.23 -11.59 57.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 27.7 mtm-85 55.6 44.59 26.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -149.84 155.67 40.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -69.45 123.49 21.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.411 HD11 ' N ' ' A' ' 92' ' ' CYS . 62.3 mt -112.99 150.24 42.57 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.641 0.734 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 111.7 2.88 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.635 2.223 . . . . 0.0 112.397 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 80.4 p -61.81 -28.72 69.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -50.35 -34.1 22.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 -76.41 -24.87 54.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -107.5 32.73 4.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.8 mt -82.01 126.97 32.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.452 ' CG ' ' HG3' ' A' ' 85' ' ' ARG . 19.2 mtp -81.85 -53.88 5.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -137.95 136.88 37.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.055 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 135.89 154.81 7.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -7.24 20.55 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.673 2.249 . . . . 0.0 112.357 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 132.75 -128.32 5.11 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.459 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 42.9 p -138.61 119.44 14.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.859 0.361 . . . . 0.0 110.884 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -106.11 -53.0 2.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.0 t -118.61 50.7 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -83.92 35.01 0.51 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -122.86 171.35 9.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.28 114.25 26.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.846 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 118' ' ' ALA . 11.1 pt-20 -84.43 -43.4 14.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.443 ' N ' ' HG3' ' A' ' 117' ' ' GLU . . . -169.87 110.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.057 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.0 t -90.89 148.78 22.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -112.54 179.94 3.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.644 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 26.8 t -103.96 103.09 12.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.85 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -68.43 -84.35 0.13 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 124.95 45.52 0.25 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.512 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 42.7 p -48.27 -54.14 14.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.917 0.389 . . . . 0.0 110.879 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 124.92 146.27 6.79 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.478 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 103.24 1.14 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.337 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.7 t -91.65 53.81 2.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.8 m 49.96 44.43 25.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.467 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.0 p -113.15 144.2 43.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.907 0.384 . . . . 0.0 110.84 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m -108.02 100.93 10.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.56 127.61 7.94 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.514 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.5 p -152.62 161.73 42.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.897 0.379 . . . . 0.0 110.829 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.9 m -95.83 -54.59 3.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.75 77.71 0.18 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.481 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -117.22 89.54 31.17 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.615 0.722 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 154.98 67.19 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.711 2.274 . . . . 0.0 112.348 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 57.6 mtm180 -93.59 104.9 16.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.835 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.474 ' CG ' ' HD2' ' A' ' 12' ' ' PRO . 23.4 ttm-85 -154.11 139.56 12.08 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.645 0.736 . . . . 0.0 110.869 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 11' ' ' ARG . 53.8 Cg_endo -69.77 -15.23 36.97 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.717 2.278 . . . . 0.0 112.33 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -81.43 158.56 24.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.17 35.1 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.53 146.11 0.33 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.509 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -0.84 7.44 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.69 2.26 . . . . 0.0 112.394 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 20' ' ' GLY . 16.0 tt0 -93.0 -61.0 1.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 17' ' ' GLU . 14.4 mm-40 -34.64 -38.88 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.426 ' HB3' ' C ' ' A' ' 47' ' ' GLU . 4.4 mm? -84.17 -41.85 16.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -57.82 -19.01 34.71 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.513 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -89.66 4.77 48.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.748 0.309 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.424 ' CD1' HD13 ' A' ' 19' ' ' LEU . 54.2 mt -93.39 -58.09 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.142 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.405 HD13 ' CD1' ' A' ' 48' ' ' LEU . 39.2 mt -110.88 41.94 1.71 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.954 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -68.08 105.02 1.92 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.956 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.6 29.89 5.15 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 99.8 t -125.48 147.85 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.891 0.377 . . . . 0.0 111.116 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 51' ' ' LYS . 96.6 t -128.61 115.09 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.423 ' HB ' ' CG1' ' A' ' 64' ' ' ILE . 16.5 m -103.59 163.99 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.7 t -139.54 131.47 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.5 mt -87.33 117.37 26.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.1 t -143.06 112.38 6.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.85 34.86 6.05 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -126.53 153.52 45.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.341 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -119.02 151.52 38.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.482 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.4 OUTLIER -88.75 162.85 37.45 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.595 0.712 . . . . 0.0 110.903 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.513 ' O ' ' C ' ' A' ' 37' ' ' PHE . 53.4 Cg_endo -69.76 -26.62 7.29 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.307 -0.06 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.513 ' C ' ' O ' ' A' ' 36' ' ' PRO . 7.5 t80 -29.17 -50.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 -49.15 -59.46 3.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.7 p -55.47 -37.6 67.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -61.98 -43.05 99.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.46 HD12 ' CG1' ' A' ' 89' ' ' VAL . 15.7 tp -60.86 -51.16 70.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -47.08 -51.74 16.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -49.36 -54.21 18.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 54.4 mttt -56.13 -42.75 77.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.41 -35.83 82.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 87.9 mt -66.18 -45.83 79.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.426 ' C ' ' HB3' ' A' ' 19' ' ' LEU . 3.4 mm-40 -49.59 -54.18 19.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.931 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.405 ' CD1' HD13 ' A' ' 23' ' ' LEU . 5.7 mt -53.19 -15.26 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 97.27 12.88 47.28 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.495 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.76 157.14 24.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 111.107 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.473 ' HB3' ' CG2' ' A' ' 27' ' ' VAL . 13.8 tppt? -91.1 155.3 18.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.472 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 6.6 t80 -122.36 117.07 25.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -120.03 143.29 35.08 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.644 0.735 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -23.2 31.2 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.742 2.294 . . . . 0.0 112.35 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -150.35 158.29 43.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.534 ' CZ3' ' HB3' ' A' ' 60' ' ' SER . 67.5 t-105 -60.65 120.49 10.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.422 ' OG1' ' N ' ' A' ' 58' ' ' ARG . 5.0 t -125.68 179.63 5.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.422 ' N ' ' OG1' ' A' ' 57' ' ' THR . 37.5 ttt85 -65.81 -15.48 62.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -91.56 -16.73 26.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.534 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 3.4 m -71.03 120.51 16.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 80.7 p -101.62 -39.08 7.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 28.3 m80 -129.81 140.92 50.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.613 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.488 ' HB2' ' CZ3' ' A' ' 56' ' ' TRP . 10.6 tp -107.79 120.91 43.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.423 ' CG1' ' HB ' ' A' ' 28' ' ' VAL . 9.3 mm -81.29 90.37 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 43.3 t -94.81 161.18 14.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.514 ' HB3' ' CD2' ' A' ' 67' ' ' PHE . . . -101.05 -38.03 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.514 ' CD2' ' HB3' ' A' ' 66' ' ' ALA . 1.8 p90 -160.67 153.9 21.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.86 -177.42 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.074 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 59.79 41.84 17.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.1 p -118.26 158.64 46.04 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.586 0.708 . . . . 0.0 111.124 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -29.66 23.55 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.658 2.239 . . . . 0.0 112.34 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.8 tptt -86.02 -28.21 24.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.557 ' CE1' HD12 ' A' ' 77' ' ' LEU . 16.3 t80 -61.4 -58.87 6.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.3 t -56.96 -50.04 73.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -47.89 -64.5 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.424 HG11 ' CZ3' ' A' ' 56' ' ' TRP . 40.1 t -59.63 -14.92 7.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.557 HD12 ' CE1' ' A' ' 73' ' ' TYR . 3.7 tt -76.51 -56.82 4.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.34 -35.32 90.06 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 25.9 mt -55.93 -39.21 71.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.822 0.344 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 115.94 36.21 1.17 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.86 172.37 15.79 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.464 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 13.7 ttm-85 -98.06 101.23 12.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 0.0 110.884 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.433 HD13 ' N ' ' A' ' 77' ' ' LEU . 21.6 mt -82.61 114.21 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.456 ' CG1' ' HA ' ' A' ' 105' ' ' LEU . 12.5 m -125.19 168.09 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.428 ' HD2' ' CG ' ' A' ' 106' ' ' MET . 0.4 OUTLIER -81.8 175.63 10.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -80.5 -12.45 59.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -70.25 -34.3 72.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 46.0 t90 -49.55 -70.93 0.07 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.517 ' CG1' ' N ' ' A' ' 90' ' ' LEU . 9.3 p -58.11 -50.46 78.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.157 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.517 ' N ' ' CG1' ' A' ' 89' ' ' VAL . 56.6 mt -47.7 -42.73 25.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -73.83 -56.71 4.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.835 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 13.8 m -38.29 -41.27 0.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -73.52 -57.02 4.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.621 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -42.45 -53.26 4.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 6.7 mtt -83.66 -19.58 35.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.41 ' C ' HD12 ' A' ' 22' ' ' ILE . 33.1 mtm180 61.54 42.35 11.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.9 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.413 ' HB3' ' NH1' ' A' ' 97' ' ' ARG . 3.0 ptp180 -142.13 165.11 28.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -85.12 120.33 26.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 46.3 mt -112.18 152.35 44.34 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.632 0.73 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 99.23 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.705 2.27 . . . . 0.0 112.337 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 105' ' ' LEU . 20.2 p -49.94 -29.63 8.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.469 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . 15.1 tm0? -52.91 -43.06 65.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 40.0 mtp180 -72.81 -7.53 51.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -120.78 -4.9 9.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.554 ' C ' ' CD1' ' A' ' 105' ' ' LEU . 0.3 OUTLIER -89.11 126.47 35.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.428 ' CG ' ' HD2' ' A' ' 85' ' ' ARG . 23.3 mtm -75.22 -58.37 3.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -121.92 162.28 21.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.121 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 154.86 168.4 18.08 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.473 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -26.25 27.83 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.712 2.275 . . . . 0.0 112.387 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.11 128.7 3.27 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.5 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.1 m -88.07 39.29 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.913 0.387 . . . . 0.0 110.85 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.3 m -75.4 -56.7 4.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.828 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 77.3 p -97.22 51.21 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -86.0 39.53 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -78.68 179.65 7.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.82 120.93 42.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -85.47 -45.3 11.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -103.08 98.54 8.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.13 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.3 t -93.78 40.76 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -143.33 168.56 19.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.618 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 21.6 t -74.55 85.7 2.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.856 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -102.35 -149.99 22.46 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.466 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 150.83 166.6 13.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.503 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 57.9 p -97.54 80.29 2.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.37 . . . . 0.0 110.846 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -71.74 -159.06 3.73 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 137.34 35.25 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.668 2.246 . . . . 0.0 112.367 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.0 m -122.58 138.36 54.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.818 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 20.5 p -103.97 -60.11 1.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.844 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.479 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.0 m -112.27 106.8 15.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.875 0.369 . . . . 0.0 110.839 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.3 t -127.77 117.44 21.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.02 89.51 1.72 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.462 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 m -74.24 163.4 27.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.889 0.376 . . . . 0.0 110.825 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.0 p -131.09 104.71 7.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.846 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.85 -171.25 43.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -119.91 80.11 25.36 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.588 0.709 . . . . 0.0 110.865 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 4.88 1.93 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.689 2.26 . . . . 0.0 112.349 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.7 ttt-85 -67.9 138.77 56.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -140.04 145.13 40.86 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.615 0.721 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -21.18 34.01 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.331 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -66.59 122.53 17.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.1 -176.49 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.062 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 155.1 -158.17 28.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 2.2 3.71 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.691 2.26 . . . . 0.0 112.378 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -94.88 -52.11 4.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -56.85 -33.35 66.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.406 ' HB3' ' C ' ' A' ' 47' ' ' GLU . 4.4 mm? -75.89 -43.21 46.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.65 -20.8 53.29 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -84.17 0.85 47.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.776 0.322 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 59.1 mt -88.56 -57.31 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.7 mt -111.28 42.92 1.57 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.6 tp60 -63.76 118.15 7.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.62 34.44 16.15 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.532 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.6 t -123.65 147.33 28.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.348 . . . . 0.0 111.14 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.0 t -124.62 118.79 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.3 m -108.61 139.63 30.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.5 t -116.14 123.27 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.107 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.4 mt -83.33 129.6 35.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.2 m -153.7 105.7 2.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.48 33.24 3.42 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.539 ' CZ ' ' CD2' ' A' ' 41' ' ' LEU . 72.4 m-85 -123.0 154.76 38.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.796 0.331 . . . . 0.0 110.851 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -136.77 121.01 17.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.949 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.526 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 1.4 p-10 -50.75 154.23 2.49 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.659 0.743 . . . . 0.0 110.847 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.9 Cg_endo -69.75 -25.35 8.07 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.328 -0.095 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' PRO . 20.7 t80 -37.97 -53.44 1.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.3 ttt85 -50.05 -61.38 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.9 p -54.35 -56.7 15.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -46.99 -38.55 10.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.539 ' CD2' ' CZ ' ' A' ' 33' ' ' PHE . 34.4 tp -66.59 -44.98 80.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -53.07 -60.9 2.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -40.89 -58.0 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -50.19 -46.6 54.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.14 -33.35 72.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.121 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 45.4 mt -68.84 -45.15 71.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.406 ' C ' ' HB3' ' A' ' 19' ' ' LEU . 6.1 mm-40 -50.66 -53.8 28.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.9 mt -53.64 -18.49 3.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.65 19.35 22.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.507 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.5 143.17 27.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.87 0.367 . . . . 0.0 111.123 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.87 133.24 33.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -99.51 115.75 30.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -108.44 143.97 28.56 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.621 0.724 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -22.43 31.97 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.694 2.263 . . . . 0.0 112.332 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -153.47 158.81 41.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.452 ' CH2' HG11 ' A' ' 76' ' ' VAL . 64.2 t-105 -60.32 131.47 50.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.6 t -137.08 172.69 12.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 -65.24 -11.03 36.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -96.06 -14.22 23.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.2 m -72.78 131.58 42.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 38.1 p -107.29 -45.85 4.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.18 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.407 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 38.7 m80 -120.89 165.22 15.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.608 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.2 tp -131.23 129.62 41.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.96 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 22.1 mm -96.55 90.87 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 34.2 t -93.28 140.87 29.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.83 -35.35 32.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -162.0 155.06 20.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.36 -179.34 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 65.15 33.91 9.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.94 158.51 33.35 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.624 0.726 . . . . 0.0 111.129 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -24.59 29.59 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.662 2.241 . . . . 0.0 112.35 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -90.06 -21.94 22.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -67.81 -39.22 83.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.5 m -82.96 -11.82 57.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 16.5 tp60 -85.16 -50.1 7.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.452 HG11 ' CH2' ' A' ' 56' ' ' TRP . 40.1 t -75.6 -14.96 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 50.5 tp -72.82 -49.93 27.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.9 -41.05 95.65 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 23.0 mt -55.65 -47.62 76.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.825 0.345 . . . . 0.0 110.914 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 120.74 24.48 2.56 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.457 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -88.96 159.11 28.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.459 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.407 ' HG2' ' CD2' ' A' ' 62' ' ' HIS . 21.2 tpp180 -79.52 100.07 7.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.788 0.327 . . . . 0.0 110.889 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 23.0 mt -88.34 114.21 26.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.116 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 11.7 m -130.25 162.76 37.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.112 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -76.99 -176.57 4.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -83.01 -35.59 25.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -43.48 -24.39 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.429 ' CE2' ' HB3' ' A' ' 101' ' ' SER . 23.5 t90 -60.82 -53.22 60.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 82.1 t -66.17 -54.46 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.157 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 48.2 mt -47.49 -55.85 8.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -58.39 -45.7 87.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.483 ' O ' ' N ' ' A' ' 96' ' ' ARG . 9.6 m -54.95 -60.15 3.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -56.49 -53.68 54.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.614 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -44.53 -59.09 2.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 26.4 mtm -83.44 -1.7 54.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 92' ' ' CYS . 90.6 mtt180 44.62 44.81 7.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -141.53 157.52 45.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 43.3 ttt85 -79.78 107.27 12.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 50.5 mt -97.1 151.57 37.79 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.654 0.74 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 107.99 1.98 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.681 2.254 . . . . 0.0 112.342 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.429 ' HB3' ' CE2' ' A' ' 88' ' ' TRP . 70.4 p -67.98 -10.49 53.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -69.94 -28.14 65.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -81.08 -2.82 49.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -119.76 21.04 12.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.439 ' CD1' ' HA3' ' A' ' 110' ' ' GLY . 24.6 mt -71.27 132.74 45.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.949 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.3 mtt -89.66 -55.85 3.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -128.13 4.91 5.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.121 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -78.5 146.19 29.89 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 110' ' ' GLY . 53.6 Cg_endo -69.73 -24.76 29.44 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.689 2.259 . . . . 0.0 112.357 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.439 ' HA3' ' CD1' ' A' ' 105' ' ' LEU . . . -34.66 131.14 0.54 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.9 m -141.15 -179.48 6.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.901 0.381 . . . . 0.0 110.864 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 113' ' ' SER . 22.6 t -40.8 104.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 112' ' ' SER . 46.9 m 34.56 38.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -105.18 35.46 2.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -140.59 175.78 9.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -92.71 15.85 13.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 118' ' ' ALA . 13.4 tt0 -49.22 -17.76 0.27 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 117' ' ' GLU . . . -35.15 -37.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 25.0 m -77.06 113.33 14.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.837 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.418 ' CD2' ' H ' ' A' ' 120' ' ' HIS . 5.4 p80 -91.26 -59.12 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.531 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.0 t -155.48 172.98 17.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.853 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -124.1 95.93 0.52 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 79.19 53.1 4.58 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.481 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.5 t -96.91 146.82 24.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.922 0.391 . . . . 0.0 110.819 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 128.57 81.46 0.3 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.484 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 98.34 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.681 2.254 . . . . 0.0 112.327 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.3 m -156.0 -179.32 8.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 7.6 m -84.72 119.71 25.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.448 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -161.25 144.26 12.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 110.829 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -170.83 164.85 7.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.841 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.93 96.36 1.38 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -173.59 110.17 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.91 0.386 . . . . 0.0 110.854 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.9 t -170.91 156.1 4.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.81 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.52 70.28 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.497 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -111.61 83.73 4.63 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.625 0.726 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 172.58 12.38 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.665 2.243 . . . . 0.0 112.397 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.73 166.54 4.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.909 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.455 ' N ' ' HD2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -162.37 143.41 7.9 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.622 0.725 . . . . 0.0 110.827 -179.885 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -22.44 32.13 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.733 2.289 . . . . 0.0 112.342 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -53.39 148.17 9.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -107.8 83.22 1.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.62 -158.14 17.69 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 2.83 3.18 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.724 2.283 . . . . 0.0 112.305 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -80.18 -51.21 9.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -50.39 -47.04 56.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.423 ' HB3' ' C ' ' A' ' 47' ' ' GLU . 4.6 mm? -74.54 -44.75 49.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.16 -18.51 35.06 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.451 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -86.54 1.37 51.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.724 0.297 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.408 HD13 ' C ' ' A' ' 96' ' ' ARG . 59.2 mt -90.31 -58.37 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.423 HD11 ' CD1' ' A' ' 48' ' ' LEU . 16.7 mt -106.28 39.72 1.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.6 tp60 -64.59 110.52 2.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.81 31.08 7.96 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.52 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.8 t -121.89 145.64 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.874 0.369 . . . . 0.0 111.084 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.2 t -126.57 114.42 37.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.4 m -109.03 153.69 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 55.2 t -128.32 132.22 68.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.109 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 58.8 mt -83.41 126.15 32.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.6 p -146.8 110.16 4.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.56 42.15 5.22 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.43 ' CZ ' HG23 ' A' ' 64' ' ' ILE . 63.2 m-85 -129.31 156.94 43.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.877 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -142.88 134.07 25.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.519 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -57.44 153.97 25.73 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.636 0.731 . . . . 0.0 110.859 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.8 Cg_endo -69.76 -30.99 4.83 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.33 -0.053 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.449 ' C ' ' O ' ' A' ' 36' ' ' PRO . 15.3 t80 -34.5 -59.34 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -47.12 -48.76 22.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.0 m -63.85 -58.4 6.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -46.75 -56.64 5.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.0 tp -44.7 -55.74 5.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.56 ' HD3' ' CD2' ' A' ' 52' ' ' TYR . 13.9 ttm105 -51.5 -50.79 59.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.8 -52.04 35.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.452 ' HG2' ' ND1' ' A' ' 93' ' ' HIS . 62.6 mttt -60.86 -43.71 98.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.51 -39.91 85.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 68.2 mt -61.77 -48.51 80.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.423 ' C ' ' HB3' ' A' ' 19' ' ' LEU . 4.0 mm-40 -48.18 -52.28 21.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.423 ' CD1' HD11 ' A' ' 23' ' ' LEU . 35.2 mt -50.48 -24.29 3.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.34 20.78 10.6 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.549 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.41 153.07 18.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.348 . . . . 0.0 111.134 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.417 ' N ' ' HD3' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -91.6 141.74 28.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.56 ' CD2' ' HD3' ' A' ' 42' ' ' ARG . 3.4 t80 -106.98 125.47 51.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.955 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -121.64 144.25 40.08 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.622 0.725 . . . . 0.0 110.829 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -37.83 8.58 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.675 2.25 . . . . 0.0 112.336 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -134.81 156.45 48.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.818 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.542 ' CZ3' ' HB3' ' A' ' 60' ' ' SER . 29.1 t-105 -46.84 125.88 7.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 25.2 p -117.8 166.99 11.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.144 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -70.1 -12.41 61.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.58 -2.14 31.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.542 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 2.3 m -66.92 118.43 10.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 71.3 p -97.97 -45.92 6.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -124.74 144.16 50.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.552 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.401 ' HB2' ' CZ3' ' A' ' 56' ' ' TRP . 20.9 tp -112.16 116.84 31.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.43 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 25.6 mm -83.87 92.53 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.17 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 47.8 t -96.98 133.71 41.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.462 ' HB3' ' CD2' ' A' ' 67' ' ' PHE . . . -70.18 -40.54 74.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.462 ' CD2' ' HB3' ' A' ' 66' ' ' ALA . 1.1 p90 -157.72 149.34 21.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.93 -179.18 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 64.3 45.92 3.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -121.65 158.85 53.0 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.539 0.685 . . . . 0.0 111.171 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -20.01 35.3 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.645 2.23 . . . . 0.0 112.346 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -91.95 -33.68 14.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 73' ' ' TYR . 0.4 OUTLIER -62.84 -40.06 96.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.1 t -74.62 -35.02 62.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.817 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -65.94 -45.01 83.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.442 HG13 ' CZ2' ' A' ' 56' ' ' TRP . 39.6 t -78.46 -15.04 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 49.6 tp -74.93 -40.49 60.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -75.09 -40.39 34.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.0 mt -55.9 -52.72 63.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 128.42 27.39 0.9 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.485 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -90.64 160.08 27.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.493 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.471 ' HA ' ' CZ ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -80.6 98.63 7.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.763 0.316 . . . . 0.0 110.82 -179.839 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 43.1 mt -85.46 108.96 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.084 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 16.0 m -125.55 159.82 32.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 -73.36 -176.24 2.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.9 pttm -85.11 -33.55 22.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -47.05 -30.71 2.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.413 ' CZ2' HD22 ' A' ' 23' ' ' LEU . 42.4 t90 -53.17 -69.1 0.12 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.95 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.507 ' CG1' ' N ' ' A' ' 90' ' ' LEU . 9.0 p -61.92 -51.41 72.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.101 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.507 ' N ' ' CG1' ' A' ' 89' ' ' VAL . 57.7 mt -44.95 -49.76 10.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -71.92 -49.2 39.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.814 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 19.5 m -41.97 -44.49 3.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.452 ' ND1' ' HG2' ' A' ' 44' ' ' LYS . 48.5 t-80 -69.25 -60.99 1.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.602 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.2 tpm_? -39.95 -60.52 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 7.0 mtm -74.13 -13.8 60.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 93' ' ' HIS . 59.3 mtt85 55.28 42.27 30.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -141.94 165.77 26.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 58.5 ttt-85 -90.22 111.65 22.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 64.9 mt -97.32 147.94 33.7 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.65 0.738 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 117.71 5.24 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.717 2.278 . . . . 0.0 112.361 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.1 t -63.61 -28.89 70.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -52.07 -26.66 11.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 19.2 mtt-85 -81.57 -27.26 34.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -106.81 34.75 3.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.2 mt -81.13 116.47 21.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.9 mtp -79.61 -55.25 5.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -141.06 119.21 12.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.081 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -171.86 146.99 9.74 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.451 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -38.4 7.83 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.702 2.268 . . . . 0.0 112.347 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 170.56 -174.86 44.52 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.5 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 92.4 p -118.55 27.68 8.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.884 0.373 . . . . 0.0 110.819 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 24.9 t -54.41 -52.97 60.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.817 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.1 t -83.89 39.68 0.71 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 115' ' ' GLU . 14.2 tt0 -73.2 81.94 1.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 114' ' ' GLU . 33.6 mt-10 -37.47 147.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -63.31 174.33 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -104.8 -40.29 6.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -77.47 87.17 3.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.066 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.1 t -164.8 131.45 2.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 65.2 m80 -89.56 121.09 31.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.57 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 55.6 m -46.42 -61.0 2.0 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.966 -1.016 . . . . 0.0 110.893 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 158.01 47.28 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.459 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 86.01 105.85 0.74 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 71.1 m -93.47 90.36 6.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.892 0.377 . . . . 0.0 110.83 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -139.98 148.22 19.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.447 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 90.32 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.679 2.253 . . . . 0.0 112.3 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 71.6 m -58.84 -57.15 14.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.865 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 22.7 t -91.17 -55.3 3.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.851 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.488 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.889 0.376 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.54 HD22 ' HB3' ' A' ' 47' ' ' GLU . 4.9 mp -67.56 -40.12 84.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.83 -18.14 38.26 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.437 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.2 mmtt -90.17 0.03 57.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.777 0.323 . . . . 0.0 110.944 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.8 mt -83.84 -56.23 5.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 28.3 mt -105.31 33.37 3.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -61.81 108.56 1.03 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.52 21.68 12.47 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.46 HG12 ' N ' ' A' ' 27' ' ' VAL . 78.9 t -118.68 155.51 20.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.868 0.366 . . . . 0.0 111.091 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.572 HG13 ' HB2' ' A' ' 51' ' ' LYS . 7.2 t -131.77 114.71 25.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.639 HG21 ' HB1' ' A' ' 45' ' ' ALA . 4.3 m -104.37 142.14 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.4 t -118.69 126.93 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.556 HD12 ' CE1' ' A' ' 52' ' ' TYR . 68.5 mt -83.3 127.45 33.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.0 m -141.08 124.17 16.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.26 46.32 34.96 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -128.33 140.0 52.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.89 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -130.21 132.14 45.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.508 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -57.48 160.67 6.92 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.589 0.709 . . . . 0.0 110.912 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.8 Cg_endo -69.75 -17.24 12.02 Favored 'Cis proline' 0 C--O 1.231 0.169 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.35 -0.059 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -50.23 -50.7 48.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -51.15 -43.97 61.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.7 m -67.64 -51.39 50.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -54.12 -49.75 68.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.482 HD23 HD22 ' A' ' 30' ' ' LEU . 34.0 tp -55.86 -51.57 67.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -50.84 -61.63 2.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -41.19 -61.49 1.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -45.27 -48.55 12.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.639 ' HB1' HG21 ' A' ' 28' ' ' VAL . . . -56.8 -37.85 71.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 68.2 mt -66.47 -43.94 84.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.54 ' HB3' HD22 ' A' ' 19' ' ' LEU . 3.4 mp0 -52.53 -52.57 54.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.9 mt -53.88 -19.34 4.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.48 22.45 19.01 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.501 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.5 150.66 20.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.887 0.375 . . . . 0.0 111.087 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.572 ' HB2' HG13 ' A' ' 27' ' ' VAL . 33.0 mtmt -85.39 132.83 34.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.556 ' CE1' HD12 ' A' ' 30' ' ' LEU . 3.6 t80 -106.11 112.32 25.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 -106.65 143.88 27.91 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.599 0.714 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -9.74 26.85 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.4 ' CG ' ' N ' ' A' ' 56' ' ' TRP . 2.0 t70 -163.62 163.84 24.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.621 ' CZ2' HG13 ' A' ' 76' ' ' VAL . 64.9 t-105 -56.44 121.4 9.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.7 p -114.73 162.14 17.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.192 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -65.25 -15.8 62.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.827 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -97.88 -3.73 38.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.5 m -65.92 127.3 31.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 48.8 p -103.96 -35.2 8.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 59.5 m80 -134.12 149.64 51.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.6 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.58 HD22 HG21 ' A' ' 76' ' ' VAL . 18.9 tp -118.52 127.55 53.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 25.9 mm -94.5 105.4 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 42.4 t -104.76 145.04 30.91 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.34 -26.51 19.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.089 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -168.59 147.45 4.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.44 -177.04 0.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 43.6 m-20 62.83 34.36 14.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -110.84 159.66 31.64 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.591 0.71 . . . . 0.0 111.128 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -39.72 6.17 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.715 2.277 . . . . 0.0 112.322 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -76.2 -10.66 59.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.448 ' CZ ' HD12 ' A' ' 77' ' ' LEU . 19.1 t80 -75.53 -57.51 3.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.0 t -63.81 -36.27 83.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.849 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -54.4 -60.01 3.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.621 HG13 ' CZ2' ' A' ' 56' ' ' TRP . 39.6 t -69.58 -14.99 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.121 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.448 HD12 ' CZ ' ' A' ' 73' ' ' TYR . 6.3 tt -71.8 -50.65 27.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.83 -32.95 78.71 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.674 -0.775 . . . . 0.0 112.506 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.569 HD12 ' HA ' ' A' ' 76' ' ' VAL . 39.7 mt -61.36 -47.88 83.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.832 0.349 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 123.42 14.16 4.07 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -78.84 155.82 41.45 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.492 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -79.53 100.55 7.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.789 0.328 . . . . 0.0 110.898 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 44.9 mt -88.59 114.91 27.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.437 HG11 ' HB3' ' A' ' 101' ' ' SER . 12.2 m -127.41 174.04 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.142 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -91.47 170.42 9.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 43.7 pttt -71.07 -33.25 70.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -43.42 -27.03 0.23 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 28.3 t90 -64.62 -46.75 81.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.951 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.0 t -72.03 -46.98 57.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.093 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 62.0 mt -54.77 -47.87 73.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.445 ' HB3' ' CD1' ' A' ' 99' ' ' LEU . 1.2 m-20 -68.27 -38.17 81.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 96' ' ' ARG . 6.1 m -60.83 -49.5 77.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.408 ' CD2' ' CD2' ' A' ' 19' ' ' LEU . 48.8 t-80 -69.44 -53.6 18.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.628 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -49.23 -41.9 38.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 6.0 mtm -98.84 -4.19 33.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 92' ' ' CYS . 28.8 mtm180 43.17 43.9 4.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.489 ' HD2' HD21 ' A' ' 99' ' ' LEU . 5.5 ptp180 -141.62 163.04 34.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 25.9 ttt-85 -82.61 116.07 21.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.489 HD21 ' HD2' ' A' ' 97' ' ' ARG . 45.1 mt -109.5 148.57 38.37 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.582 0.706 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 112.87 3.19 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.246 . . . . 0.0 112.329 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.437 ' HB3' HG11 ' A' ' 84' ' ' VAL . 1.6 m -67.13 -22.64 65.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.833 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.403 ' HG3' ' N ' ' A' ' 103' ' ' ARG . 10.5 pt20 -54.13 -40.52 67.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.403 ' N ' ' HG3' ' A' ' 102' ' ' GLN . 27.0 mtm180 -67.72 -21.69 65.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -108.44 24.93 12.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.962 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 8.6 mt -69.89 124.3 23.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 6.2 mtp . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.851 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.882 0.372 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.443 HD13 HD12 ' A' ' 22' ' ' ILE . 4.4 mm? -80.21 -46.61 16.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.94 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.57 -9.97 10.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.2 mmtm -96.95 2.11 51.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.753 0.311 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.487 HD12 HD23 ' A' ' 48' ' ' LEU . 47.3 mt -93.29 -58.81 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.9 mt -104.87 41.49 1.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -67.73 107.45 2.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.78 26.65 11.38 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.2 t -120.12 135.54 60.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.916 0.388 . . . . 0.0 111.149 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.0 t -113.3 113.07 42.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.452 HG21 ' HB1' ' A' ' 45' ' ' ALA . 5.2 m -102.69 150.93 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 51.5 t -126.73 125.79 67.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.895 HD22 HD23 ' A' ' 41' ' ' LEU . 92.1 mt -87.44 124.42 33.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.3 t -145.5 145.12 30.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 54.68 53.65 37.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.494 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.741 ' HZ ' HG22 ' A' ' 64' ' ' ILE . 41.6 m-85 -127.4 166.35 18.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.885 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -109.51 179.31 4.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.504 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.6 OUTLIER -133.3 160.72 67.51 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.667 0.746 . . . . 0.0 110.867 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 54.1 Cg_endo -69.77 -2.42 7.15 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.377 -0.061 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.485 ' N ' ' HA ' ' A' ' 35' ' ' ASN . 23.0 t80 -33.22 -46.47 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -41.91 -56.98 2.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.5 t -53.9 -54.74 34.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.406 ' HG3' ' NZ ' ' A' ' 44' ' ' LYS . 6.4 tp10 -47.5 -48.08 27.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.895 HD23 HD22 ' A' ' 30' ' ' LEU . 30.7 tp -65.47 -40.53 93.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.502 ' HE ' HD11 ' A' ' 46' ' ' LEU . 34.3 ttp180 -60.54 -58.97 6.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.656 ' HA ' HD12 ' A' ' 46' ' ' LEU . 5.1 t0 -41.99 -55.61 3.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.406 ' NZ ' ' HG3' ' A' ' 40' ' ' GLU . 52.6 mttt -52.1 -47.46 65.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.655 ' HA ' HD12 ' A' ' 48' ' ' LEU . . . -62.45 -31.25 71.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.656 HD12 ' HA ' ' A' ' 43' ' ' ASP . 55.2 mt -69.82 -48.72 57.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.422 ' C ' ' HB3' ' A' ' 19' ' ' LEU . 12.5 mm-40 -54.96 -46.02 74.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.655 HD12 ' HA ' ' A' ' 45' ' ' ALA . 8.3 mt -57.14 -14.41 3.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.27 30.19 12.94 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.456 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.91 151.24 25.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.342 . . . . 0.0 111.102 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.1 mttm -89.72 135.22 33.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -104.4 111.21 23.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -103.83 143.47 26.71 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.579 0.704 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -12.39 32.83 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.654 2.236 . . . . 0.0 112.367 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -163.42 164.2 24.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.539 ' CZ3' ' HB3' ' A' ' 60' ' ' SER . 41.0 t-105 -61.09 127.2 30.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.2 p -124.67 -177.9 3.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.5 ptt85 -78.42 -5.5 52.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -105.85 -13.1 15.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.539 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 1.8 m -65.4 129.98 41.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 67.8 p -103.99 -44.46 5.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -123.85 152.96 41.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 1.147 . . . . 0.0 109.585 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.616 HD22 HG21 ' A' ' 76' ' ' VAL . 7.1 tp -120.51 113.91 20.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.741 HG22 ' HZ ' ' A' ' 33' ' ' PHE . 27.5 mm -80.9 111.85 18.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.082 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 8.3 t -113.71 151.95 31.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.53 -28.75 21.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.524 ' CD1' ' N ' ' A' ' 67' ' ' PHE . 0.0 OUTLIER -170.36 170.11 7.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -83.21 -176.41 6.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.6 m120 64.45 33.36 11.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -114.84 160.4 33.68 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.555 0.693 . . . . 0.0 111.16 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 -48.15 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.671 2.248 . . . . 0.0 112.394 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.9 mmtm -70.33 -14.16 62.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -72.48 -46.01 56.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.7 t -84.37 -26.91 28.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -58.77 -41.89 87.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.616 HG21 HD22 ' A' ' 63' ' ' LEU . 38.5 t -86.34 -14.86 10.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.477 ' CA ' HD11 ' A' ' 83' ' ' ILE . 32.6 tp -72.23 -40.89 67.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.67 -28.99 70.07 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.485 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 70.6 mt -70.71 -52.21 22.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.87 0.367 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 128.6 24.86 1.08 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.514 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -86.17 167.18 39.34 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.465 ' NE ' HD21 ' A' ' 105' ' ' LEU . 3.9 tpm_? -87.27 96.18 10.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.788 0.328 . . . . 0.0 110.898 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.477 HD11 ' CA ' ' A' ' 77' ' ' LEU . 28.1 mt -86.61 111.31 21.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.089 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.512 HG11 ' HB2' ' A' ' 101' ' ' SER . 11.2 m -131.39 167.96 25.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 80.6 mtt180 -81.29 177.06 9.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 88' ' ' TRP . 6.0 ptmm? -75.75 -39.96 56.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 86' ' ' LYS . 5.5 mm-40 -35.93 -32.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.467 ' N ' ' O ' ' A' ' 86' ' ' LYS . 23.2 t90 -55.75 -58.28 8.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 62.8 t -62.63 -53.59 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.463 HD11 ' NZ ' ' A' ' 86' ' ' LYS . 53.5 mt -49.89 -60.67 2.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -55.74 -45.64 77.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 4.3 m -54.06 -47.55 71.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -67.01 -55.38 14.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.646 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -44.78 -51.95 8.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 8.7 mtm -86.38 -8.81 57.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.9 mtm-85 50.33 40.76 23.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.83 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -140.43 162.48 35.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 26.7 ttt-85 -81.48 118.53 22.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 65.2 mt -107.87 148.91 38.31 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.585 0.707 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 101.38 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.359 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.512 ' HB2' HG11 ' A' ' 84' ' ' VAL . 99.7 p -63.69 -9.57 14.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -71.2 -11.0 60.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 38.0 mtt180 -95.63 -18.83 20.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -99.7 -1.51 37.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.465 HD21 ' NE ' ' A' ' 82' ' ' ARG . 26.7 mt -52.53 135.98 33.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.94 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.4 mtm . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 179.875 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.904 0.383 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.595 HD12 HD23 ' A' ' 48' ' ' LEU . 2.1 mm? -60.03 -52.75 64.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.33 -17.56 32.44 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -87.35 -9.5 54.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.786 0.327 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 30.4 mt -78.62 -59.11 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.9 mt -105.55 39.52 1.74 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -66.3 118.19 9.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.08 14.99 63.47 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.442 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.9 t -109.05 149.44 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.378 . . . . 0.0 111.099 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.409 HG22 ' HB2' ' A' ' 51' ' ' LYS . 27.8 t -127.73 128.24 69.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.2 m -116.35 162.18 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 81.4 t -140.96 131.85 27.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.1 mt -88.46 121.19 30.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.3 t -148.15 105.63 3.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.57 20.26 8.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.615 ' CZ ' HG22 ' A' ' 64' ' ' ILE . 56.8 m-85 -119.13 159.37 24.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.851 0.358 . . . . 0.0 110.817 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -135.32 129.33 33.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.505 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -56.36 160.66 4.86 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.671 0.748 . . . . 0.0 110.866 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 54.1 Cg_endo -69.73 -3.58 7.74 Favored 'Cis proline' 0 C--N 1.342 0.206 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.354 -0.075 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.459 ' N ' ' HA ' ' A' ' 35' ' ' ASN . 2.6 t80 -49.51 -60.68 2.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.44 ' CG ' ' N ' ' A' ' 39' ' ' SER . 21.3 ptt85 -52.31 -44.34 65.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.821 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.44 ' N ' ' CG ' ' A' ' 38' ' ' ARG . 1.3 t -60.98 -31.89 71.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.824 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -76.39 -49.54 16.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.1 mt -53.1 -46.79 68.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.6 ttp180 -56.07 -60.38 3.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -42.94 -57.59 2.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -59.84 -43.76 94.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.0 -32.09 63.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 66.7 mt -68.89 -41.3 78.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.55 ' CD ' ' HE2' ' A' ' 93' ' ' HIS . 6.3 mt-10 -54.57 -51.87 63.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.595 HD23 HD12 ' A' ' 19' ' ' LEU . 20.9 mt -54.49 -16.22 2.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.41 30.34 12.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.484 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.72 152.8 22.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.839 0.352 . . . . 0.0 111.115 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.409 ' HB2' HG22 ' A' ' 27' ' ' VAL . 0.6 OUTLIER -89.02 141.29 28.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -112.09 109.26 18.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.405 ' HE ' HG21 ' A' ' 57' ' ' THR . 26.5 mmm180 -103.07 143.06 25.85 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.588 0.708 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -19.12 36.62 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.68 2.253 . . . . 0.0 112.327 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -153.4 154.5 34.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.577 ' CZ2' HG13 ' A' ' 76' ' ' VAL . 74.8 t-105 -60.29 125.98 25.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.405 HG21 ' HE ' ' A' ' 53' ' ' ARG . 1.5 t -131.72 171.44 13.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.117 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -63.17 -10.17 14.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.832 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -96.74 -17.74 20.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.814 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.409 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 2.1 m -71.16 123.34 21.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.6 p -95.6 -58.08 2.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.187 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -109.88 141.85 42.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.587 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.451 HD22 HG21 ' A' ' 76' ' ' VAL . 5.5 tp -110.52 131.73 54.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.615 HG22 ' CZ ' ' A' ' 33' ' ' PHE . 7.0 mm -96.97 107.21 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.089 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 6.1 t -111.13 151.26 28.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.38 -36.51 17.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -156.95 163.73 38.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.2 -178.1 4.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.157 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 61.75 46.01 7.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.846 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.9 158.84 48.96 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.548 0.69 . . . . 0.0 111.16 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -29.55 23.66 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.667 2.245 . . . . 0.0 112.362 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.42 -18.57 31.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.509 ' CE1' HD12 ' A' ' 77' ' ' LEU . 33.1 t80 -73.27 -52.51 13.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.7 m -60.5 -45.05 95.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -50.88 -68.81 0.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.577 HG13 ' CZ2' ' A' ' 56' ' ' TRP . 42.3 t -55.89 -14.92 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.117 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.509 HD12 ' CE1' ' A' ' 73' ' ' TYR . 3.1 tt -71.19 -48.56 50.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -73.96 -38.87 47.78 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.564 HD13 ' HE1' ' A' ' 56' ' ' TRP . 22.4 mt -51.24 -54.31 27.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.954 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 129.98 21.93 1.18 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -87.65 169.7 39.39 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -98.63 97.06 8.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.809 0.338 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.473 HG21 ' CD2' ' A' ' 73' ' ' TYR . 19.4 mt -82.44 120.54 34.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.127 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.75 HG11 ' HB3' ' A' ' 101' ' ' SER . 2.7 m -130.18 174.57 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -84.98 175.6 8.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HG3' HD12 ' A' ' 90' ' ' LEU . 7.7 ptpt -73.31 -38.89 65.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -41.09 -32.7 0.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -46.34 -57.63 4.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 90' ' ' LEU . 40.3 t -68.9 -63.22 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.514 HD12 ' HG3' ' A' ' 86' ' ' LYS . 51.8 mt -37.33 -50.18 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 92' ' ' CYS . 30.5 m-20 -71.54 -65.17 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 91' ' ' ASP . 9.2 m -35.08 -36.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.55 ' HE2' ' CD ' ' A' ' 47' ' ' GLU . 54.5 t-80 -79.1 -59.65 2.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.619 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -42.18 -54.99 3.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 33.4 mtm -82.23 -8.53 59.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 46.6 mtm180 50.41 43.89 26.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -143.9 158.5 43.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 14.7 ttt180 -83.09 118.07 23.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 67.5 mt -104.16 148.7 36.33 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.572 0.701 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 100.49 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.686 2.258 . . . . 0.0 112.342 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.75 ' HB3' HG11 ' A' ' 84' ' ' VAL . 1.3 m -57.09 -18.61 15.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.471 ' HA ' ' CD1' ' A' ' 105' ' ' LEU . 44.8 mt-30 -59.93 -13.19 9.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -93.9 -31.01 14.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -93.17 -2.24 55.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 102' ' ' GLN . 18.1 mt -45.64 130.3 8.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.413 ' SD ' HG22 ' A' ' 83' ' ' ILE . 71.8 mtp . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.92 0.39 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.648 HD22 ' HB3' ' A' ' 47' ' ' GLU . 5.5 mp -70.39 -38.76 74.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.6 -15.54 26.07 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.462 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.429 ' NZ ' ' HA ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -94.7 5.28 52.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.762 0.315 . . . . 0.0 110.901 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.562 HG23 ' HG3' ' A' ' 98' ' ' ARG . 63.2 mt -89.21 -55.27 6.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 72.8 mt -111.76 42.61 1.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.898 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -64.91 107.79 1.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.65 28.86 7.68 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.8 t -119.94 147.64 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 0.0 111.129 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.9 t -124.91 120.8 59.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.539 HG21 ' HB1' ' A' ' 45' ' ' ALA . 10.7 m -112.58 146.25 17.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.102 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.431 HG22 ' HB2' ' A' ' 53' ' ' ARG . 67.6 t -125.85 121.45 59.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.135 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.643 HD12 ' CE1' ' A' ' 52' ' ' TYR . 88.4 mt -82.07 123.26 28.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.0 t -147.01 106.29 3.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.84 37.6 2.34 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.501 ' CE1' ' HB2' ' A' ' 66' ' ' ALA . 77.3 m-85 -130.42 161.2 31.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.792 0.329 . . . . 0.0 110.854 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -139.19 122.38 16.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.517 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 1.8 p30 -50.94 156.34 1.73 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.626 0.726 . . . . 0.0 110.921 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.5 Cg_endo -69.76 -24.71 8.42 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.332 -0.074 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' PRO . 7.5 t80 -37.03 -51.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -51.93 -49.64 62.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.8 t -62.73 -63.28 1.26 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -42.36 -49.87 5.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.409 HD23 HD22 ' A' ' 30' ' ' LEU . 59.1 tp -60.81 -41.16 95.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.445 ' HB2' HD11 ' A' ' 30' ' ' LEU . 26.3 ttp180 -61.69 -43.49 98.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -52.69 -61.7 2.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -48.17 -45.3 33.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.539 ' HB1' HG21 ' A' ' 28' ' ' VAL . . . -53.83 -40.94 66.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 22.5 mt -68.31 -43.22 78.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.648 ' HB3' HD22 ' A' ' 19' ' ' LEU . 1.1 mp0 -53.31 -47.76 68.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.5 mt -60.91 -12.61 11.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.53 15.08 44.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.504 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.17 145.27 24.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.358 . . . . 0.0 111.07 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -87.2 133.71 33.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.643 ' CE1' HD12 ' A' ' 30' ' ' LEU . 4.0 t80 -102.73 113.28 26.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.584 ' HD2' HG21 ' A' ' 57' ' ' THR . 12.2 mmt-85 -111.28 144.09 29.77 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.652 0.739 . . . . 0.0 110.86 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -34.55 14.51 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.668 2.245 . . . . 0.0 112.367 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.71 156.56 46.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.566 ' CZ2' HG13 ' A' ' 76' ' ' VAL . 60.8 t-105 -53.68 107.59 0.27 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.584 HG21 ' HD2' ' A' ' 53' ' ' ARG . 5.8 p -94.97 166.87 11.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.105 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.4 ttt85 -61.47 -37.58 84.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.446 ' O ' HG23 ' A' ' 61' ' ' THR . 1.5 m-20 -73.71 -15.68 61.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.543 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 70.8 m -42.89 120.67 1.84 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 59' ' ' ASP . 73.9 p -110.05 -34.69 6.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.199 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.441 ' CD2' ' HB3' ' A' ' 82' ' ' ARG . 10.4 m80 -141.61 135.93 30.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.102 . . . . 0.0 109.578 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.977 HD22 HG21 ' A' ' 76' ' ' VAL . 14.3 tp -100.63 122.39 43.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.968 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.0 mm -87.31 93.36 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.161 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.7 t -95.86 163.85 12.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.501 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . . . -110.01 -35.09 6.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' A' ' 67' ' ' PHE . 1.1 p90 -156.76 150.23 24.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.83 -179.89 1.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 46.9 m-20 65.92 29.59 10.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -105.45 156.23 36.69 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.627 0.727 . . . . 0.0 111.137 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -16.04 37.28 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.673 2.249 . . . . 0.0 112.305 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.7 tptt -97.38 -24.79 15.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -68.21 -37.92 81.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.7 t -84.62 -17.81 37.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -77.67 -46.03 23.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.977 HG21 HD22 ' A' ' 63' ' ' LEU . 39.9 t -75.95 -14.8 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.7 tp -74.47 -52.0 13.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.2 -34.56 74.12 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.461 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.408 HD13 ' NE1' ' A' ' 56' ' ' TRP . 25.3 mt -67.92 -62.49 1.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.356 . . . . 0.0 110.955 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 135.65 37.17 0.19 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.429 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -101.21 151.3 18.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.546 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.481 ' HD2' HD21 ' A' ' 105' ' ' LEU . 14.3 tpp180 -73.26 95.9 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.741 0.305 . . . . 0.0 110.854 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 18.2 mt -80.99 114.21 21.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.534 HG11 ' HB3' ' A' ' 101' ' ' SER . 11.6 m -132.28 160.19 42.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.401 ' HG3' ' CG ' ' A' ' 106' ' ' MET . 63.8 mtp180 -82.37 168.8 17.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 87' ' ' GLU . 25.9 pttm -62.67 -37.28 85.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 86' ' ' LYS . 29.7 mt-10 -36.23 -40.88 0.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 29.7 t90 -52.28 -56.22 16.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.925 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 89.2 t -63.31 -58.99 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 24.9 mt -43.0 -46.29 5.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.445 ' HB3' ' CD1' ' A' ' 99' ' ' LEU . 2.4 m-20 -71.31 -49.73 39.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 55.7 m -48.84 -45.32 40.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.402 ' O ' ' N ' ' A' ' 96' ' ' ARG . 24.6 t60 -72.68 -58.13 3.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.615 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 35.4 ttt-85 -44.82 -33.0 1.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.847 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 9.1 mtm -104.16 -9.66 18.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 93' ' ' HIS . 15.4 mtm-85 49.45 45.94 23.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -150.06 175.08 12.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.562 ' HG3' HG23 ' A' ' 22' ' ' ILE . 23.8 mtm180 -89.0 127.58 35.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.445 ' CD1' ' HB3' ' A' ' 91' ' ' ASP . 66.0 mt -116.01 150.28 44.8 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.615 0.721 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 99.03 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.634 2.223 . . . . 0.0 112.35 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.534 ' HB3' HG11 ' A' ' 84' ' ' VAL . 50.3 m -53.34 -30.18 38.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.821 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.451 ' HA ' ' CD1' ' A' ' 105' ' ' LEU . 1.2 mp0 -48.5 -50.68 30.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 34.5 mtm180 -57.68 -20.07 31.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -112.75 38.05 2.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.481 HD21 ' HD2' ' A' ' 82' ' ' ARG . 14.1 mt -88.47 125.94 34.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.868 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.401 ' CG ' ' HG3' ' A' ' 85' ' ' ARG . 31.1 mtp . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.876 0.37 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.708 HD22 ' HB3' ' A' ' 47' ' ' GLU . 5.5 mp -83.75 -36.17 23.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.07 -9.89 24.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.461 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -104.36 7.71 35.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.512 HD11 ' O ' ' A' ' 96' ' ' ARG . 88.1 mt -91.59 -59.07 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.476 ' CD1' HD13 ' A' ' 48' ' ' LEU . 21.1 mt -102.87 38.55 1.71 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -65.99 120.21 12.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.46 8.13 64.46 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.539 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 23.5 t -106.06 143.05 17.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.869 0.366 . . . . 0.0 111.152 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.454 HG13 ' HB2' ' A' ' 51' ' ' LYS . 21.3 t -124.57 117.12 49.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.173 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.2 m -106.93 163.79 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.7 t -136.5 126.27 39.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.151 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.6 mt -84.18 117.23 23.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.5 t -131.69 137.07 48.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 67.36 37.45 90.51 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.472 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.575 ' CE1' ' CD2' ' A' ' 41' ' ' LEU . 88.4 m-85 -120.19 141.45 49.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.843 0.354 . . . . 0.0 110.851 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -126.5 124.69 40.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.916 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.541 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 1.2 p30 -51.2 154.18 2.96 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.588 0.709 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 54.1 Cg_endo -69.68 -25.75 7.78 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.403 -0.161 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.448 ' C ' ' O ' ' A' ' 36' ' ' PRO . 6.3 t80 -34.67 -57.16 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -50.66 -42.16 56.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 36' ' ' PRO . 66.7 m -67.97 -57.87 5.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.839 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -50.36 -49.82 53.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.575 ' CD2' ' CE1' ' A' ' 33' ' ' PHE . 24.7 tp -57.49 -42.24 82.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -56.78 -60.09 4.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.635 ' HA ' HD12 ' A' ' 46' ' ' LEU . 3.9 t70 -44.03 -55.78 4.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.43 ' HG2' ' ND1' ' A' ' 93' ' ' HIS . 82.3 mttt -51.19 -45.31 61.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.12 -29.97 70.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.083 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.635 HD12 ' HA ' ' A' ' 43' ' ' ASP . 38.1 mt -72.84 -43.21 62.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.708 ' HB3' HD22 ' A' ' 19' ' ' LEU . 21.1 mm-40 -51.27 -51.85 50.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.476 HD13 ' CD1' ' A' ' 23' ' ' LEU . 21.0 mt -55.79 -18.05 7.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.96 20.67 25.38 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.455 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.69 151.01 20.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 111.088 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.454 ' HB2' HG13 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -92.44 124.52 36.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -94.61 112.88 24.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.4 mmp_? -106.61 143.74 27.63 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.617 0.722 . . . . 0.0 110.855 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -25.74 28.34 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.684 2.256 . . . . 0.0 112.32 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -140.42 155.99 46.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.53 ' CZ3' ' HB2' ' A' ' 63' ' ' LEU . 75.8 t-105 -62.44 89.4 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 t -83.55 158.53 21.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.9 ttm-85 -59.82 -13.49 10.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -89.56 -23.42 22.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.429 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 3.2 m -57.84 132.89 54.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 13.1 p -107.07 -38.94 5.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.114 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -126.14 141.62 51.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.578 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.657 HD22 HG21 ' A' ' 76' ' ' VAL . 9.2 tp -110.76 133.67 53.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.439 HG23 ' HA ' ' A' ' 86' ' ' LYS . 33.1 mm -103.2 98.08 6.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 5.0 t -94.48 138.66 32.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.401 ' C ' ' CD1' ' A' ' 67' ' ' PHE . . . -69.76 -39.69 76.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 66' ' ' ALA . 0.8 OUTLIER -165.29 168.24 17.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.475 ' C ' ' CG ' ' A' ' 69' ' ' ASN . . . -68.27 -175.56 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.057 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.475 ' CG ' ' C ' ' A' ' 68' ' ' ALA . 0.2 OUTLIER 49.44 44.57 23.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.1 p -118.43 158.62 46.4 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.585 0.707 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -35.46 12.71 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.704 2.269 . . . . 0.0 112.354 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -81.49 -14.9 56.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -78.0 -41.26 36.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 t -90.49 -9.73 46.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.829 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -82.1 -36.29 27.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.657 HG21 HD22 ' A' ' 63' ' ' LEU . 43.3 t -90.07 -14.84 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.9 tp -71.5 -51.31 24.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.84 -36.2 89.21 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.515 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 76' ' ' VAL . 19.9 mt -65.96 -42.07 90.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.868 0.366 . . . . 0.0 110.927 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 113.52 35.32 1.6 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.481 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -95.1 167.68 26.7 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -88.66 95.07 10.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.762 0.315 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.6 HG23 HD23 ' A' ' 63' ' ' LEU . 18.8 mt -86.85 114.69 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.816 HG11 ' OG ' ' A' ' 101' ' ' SER . 17.7 m -132.07 147.8 32.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 41.2 mtt85 -60.72 170.82 1.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 88' ' ' TRP . 49.5 pttt -75.24 -35.03 61.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -38.65 -26.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.489 ' N ' ' O ' ' A' ' 86' ' ' LYS . 16.0 t90 -62.15 -60.35 3.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 93.1 t -59.21 -43.1 88.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.121 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' ' 86' ' ' LYS . 4.1 mm? -53.24 -56.08 19.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 93' ' ' HIS . 7.3 m-20 -59.14 -63.05 1.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.447 ' C ' ' O ' ' A' ' 91' ' ' ASP . 81.6 m -34.57 -33.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.483 ' N ' ' O ' ' A' ' 91' ' ' ASP . 31.3 t-80 -87.16 -58.65 2.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.592 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -38.41 -44.08 0.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.443 ' CE ' ' HB3' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -99.1 -25.13 14.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.512 ' O ' HD11 ' A' ' 22' ' ' ILE . 13.3 mtt85 70.89 35.61 1.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.539 ' HD2' HD21 ' A' ' 99' ' ' LEU . 7.1 ptp85 -131.93 165.52 23.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 24.6 ttt85 -83.03 123.23 29.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.539 HD21 ' HD2' ' A' ' 97' ' ' ARG . 26.0 mt -119.0 150.21 48.28 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.587 0.708 . . . . 0.0 110.946 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 129.49 17.71 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.716 2.278 . . . . 0.0 112.358 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.816 ' OG ' HG11 ' A' ' 84' ' ' VAL . 3.9 t -83.49 -12.45 56.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.471 ' HA ' ' CD1' ' A' ' 105' ' ' LEU . 17.9 pt20 -69.24 -26.07 64.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.948 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 38.4 mtp180 -80.6 -22.7 40.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -98.83 -5.18 31.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 102' ' ' GLN . 14.4 mt -46.14 131.72 10.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.1 mtp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 179.867 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.945 0.402 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.894 HD22 ' HB3' ' A' ' 47' ' ' GLU . 5.8 mp -81.91 -37.49 26.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.95 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.49 -26.03 51.1 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -84.62 4.91 30.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.756 0.312 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.402 HD11 ' C ' ' A' ' 96' ' ' ARG . 41.9 mt -92.19 -58.31 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.153 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.4 mt -108.29 34.17 3.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -59.29 111.06 1.22 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.83 32.49 9.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.466 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.6 t -120.65 151.2 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 111.112 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.0 t -128.03 117.57 46.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.09 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.4 m -110.93 153.83 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.101 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.3 t -128.98 122.23 56.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.626 HD22 HD23 ' A' ' 41' ' ' LEU . 89.8 mt -82.16 123.41 28.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 m -140.93 132.57 27.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 74.85 31.22 58.41 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.502 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.653 ' CZ ' ' CD2' ' A' ' 41' ' ' LEU . 59.2 m-85 -112.27 161.02 17.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.789 0.328 . . . . 0.0 110.884 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.439 ' N ' ' HB2' ' A' ' 38' ' ' ARG . 9.4 tp60 -144.03 131.92 21.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.537 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -62.05 154.16 70.45 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.622 0.725 . . . . 0.0 110.891 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.9 Cg_endo -69.78 -30.91 4.88 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.649 -1.813 . . . . 0.0 112.389 -0.074 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' A' ' 36' ' ' PRO . 12.3 t80 -34.49 -58.73 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.439 ' HB2' ' N ' ' A' ' 34' ' ' GLN . 21.3 ttm180 -45.53 -49.46 13.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.4 t -64.03 -57.62 9.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -46.7 -53.71 11.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.653 ' CD2' ' CZ ' ' A' ' 33' ' ' PHE . 23.5 tp -46.54 -40.24 12.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.945 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.438 ' NE ' ' CD2' ' A' ' 52' ' ' TYR . 28.0 ttt180 -68.17 -49.29 61.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -43.21 -56.69 3.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -60.79 -49.05 79.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.78 -33.37 16.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.102 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 51.4 mt -69.12 -42.09 76.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.894 ' HB3' HD22 ' A' ' 19' ' ' LEU . 36.3 mm-40 -55.35 -43.65 75.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.6 mt -62.82 -14.65 48.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.929 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.79 23.42 33.18 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.492 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.73 152.27 18.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.885 0.374 . . . . 0.0 111.084 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.435 ' HE3' ' N ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -89.54 130.92 35.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.619 ' CE1' HD12 ' A' ' 30' ' ' LEU . 3.4 t80 -101.81 107.61 18.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -106.2 143.58 27.23 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.716 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -29.37 24.05 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.681 2.254 . . . . 0.0 112.358 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -140.41 160.53 39.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.543 ' CZ3' ' HB3' ' A' ' 60' ' ' SER . 62.2 t-105 -57.64 110.82 0.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 65.3 p -97.15 172.45 7.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -76.43 -2.24 31.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -111.53 -6.13 14.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.543 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 47.6 m -58.89 119.54 7.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 60.3 p -97.94 -33.34 11.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.171 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.445 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 21.6 m80 -137.45 147.41 45.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.582 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.486 HD22 HG21 ' A' ' 76' ' ' VAL . 10.2 tp -116.72 119.0 34.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.514 HG23 ' HA ' ' A' ' 86' ' ' LYS . 12.9 mm -86.07 92.16 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 52.4 t -93.76 144.3 25.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.02 -44.42 16.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.086 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -152.5 145.06 24.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.5 -175.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.057 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 63.29 28.66 15.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.23 160.01 27.69 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.632 0.729 . . . . 0.0 111.089 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -34.24 14.8 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.644 2.229 . . . . 0.0 112.31 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.49 -25.4 45.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.967 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -62.09 -54.62 38.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.3 t -65.55 -41.97 92.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.846 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -49.79 -48.28 50.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.486 HG21 HD22 ' A' ' 63' ' ' LEU . 39.7 t -80.75 -15.02 12.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 49.2 tp -73.8 -43.63 58.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.4 -36.55 78.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.548 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 30.2 mt -60.99 -46.81 89.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.877 0.37 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 117.18 42.07 0.66 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.513 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -101.73 166.54 18.18 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.516 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.48 ' HD2' HD21 ' A' ' 105' ' ' LEU . 3.5 tpt180 -84.9 94.79 8.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 110.871 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 57.9 mt -85.53 114.89 26.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.717 HG11 ' OG ' ' A' ' 101' ' ' SER . 4.3 m -132.06 163.03 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.6 mtp85 -69.58 177.14 3.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HA ' HG23 ' A' ' 64' ' ' ILE . 19.1 pttm -79.82 -29.79 40.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.414 ' O ' ' CG ' ' A' ' 91' ' ' ASP . 7.8 tt0 -50.67 -40.25 53.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 24.9 t90 -40.41 -33.07 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 92.4 t -88.53 -41.47 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.121 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 54.1 mt -61.36 -55.96 25.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 87' ' ' GLU . 0.7 OUTLIER -58.84 -47.95 83.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.821 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 96' ' ' ARG . 12.4 m -56.04 -52.11 65.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -60.03 -55.26 36.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.653 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -46.97 -52.38 14.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.406 ' CB ' ' HG2' ' A' ' 97' ' ' ARG . 11.3 mtm -84.21 -4.81 59.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 92' ' ' CYS . 30.0 mtm-85 47.43 44.04 16.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.406 ' HG2' ' CB ' ' A' ' 95' ' ' MET . 7.4 ptp180 -141.77 170.49 15.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 27.0 ttt-85 -93.92 114.6 26.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 72.3 mt -99.28 149.03 35.44 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.597 0.713 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 104.39 1.32 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.702 2.268 . . . . 0.0 112.311 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.717 ' OG ' HG11 ' A' ' 84' ' ' VAL . 38.8 t -51.77 -28.31 14.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -51.86 -36.79 49.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -73.76 -26.88 60.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.44 ' O ' HG12 ' A' ' 84' ' ' VAL . 97.2 m-85 -101.75 22.98 11.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.48 HD21 ' HD2' ' A' ' 82' ' ' ARG . 11.6 mt -69.54 119.89 14.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.88 0.371 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.636 HD13 HD12 ' A' ' 22' ' ' ILE . 4.3 mm? -73.29 -48.25 36.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.13 -21.39 38.85 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -86.49 4.47 39.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.744 0.307 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.636 HD12 HD13 ' A' ' 19' ' ' LEU . 27.2 mt -93.17 -59.07 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.183 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.458 ' CD1' HD13 ' A' ' 48' ' ' LEU . 22.9 mt -105.08 40.97 1.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -63.62 112.49 2.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.41 28.67 16.25 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.472 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.2 t -117.01 134.13 61.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 0.0 111.166 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.523 HG22 ' HB2' ' A' ' 51' ' ' LYS . 84.4 t -115.46 110.4 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.41 ' HB ' ' CG1' ' A' ' 64' ' ' ILE . 17.0 m -106.35 151.87 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.751 HG22 ' HB2' ' A' ' 53' ' ' ARG . 70.6 t -127.0 129.82 71.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.429 HD12 ' CE1' ' A' ' 52' ' ' TYR . 87.2 mt -81.96 123.48 28.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.6 m -139.89 105.86 5.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.07 39.52 3.52 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.483 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.584 ' CE1' ' CD2' ' A' ' 41' ' ' LEU . 92.9 m-85 -127.92 148.56 50.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -136.51 128.96 30.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.544 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 2.0 p30 -54.22 154.17 8.49 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.662 0.744 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 54.1 Cg_endo -69.77 -23.91 8.84 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.341 -0.018 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -41.39 -52.37 3.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 -50.03 -54.28 21.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.0 m -56.94 -60.35 3.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -44.94 -51.72 9.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.584 ' CD2' ' CE1' ' A' ' 33' ' ' PHE . 28.4 tp -55.52 -46.33 77.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.464 ' HG3' ' CD2' ' A' ' 52' ' ' TYR . 36.5 ttp180 -57.77 -52.18 66.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.708 ' HA ' HD12 ' A' ' 46' ' ' LEU . 24.1 t0 -50.11 -53.41 27.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.865 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.441 ' HG2' ' ND1' ' A' ' 93' ' ' HIS . 64.1 mttt -52.57 -45.22 66.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.5 -36.11 75.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.708 HD12 ' HA ' ' A' ' 43' ' ' ASP . 27.2 mt -64.74 -42.05 95.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.417 ' C ' ' HB3' ' A' ' 19' ' ' LEU . 6.1 mm-40 -51.33 -53.42 36.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.458 HD13 ' CD1' ' A' ' 23' ' ' LEU . 6.8 mt -57.27 -12.78 2.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.1 27.74 25.02 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.49 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.57 155.86 17.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.873 0.368 . . . . 0.0 111.081 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.523 ' HB2' HG22 ' A' ' 27' ' ' VAL . 0.9 OUTLIER -92.64 130.28 38.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.464 ' CD2' ' HG3' ' A' ' 42' ' ' ARG . 1.8 t80 -101.03 113.59 26.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.751 ' HB2' HG22 ' A' ' 29' ' ' VAL . 13.1 mmp_? -108.75 143.98 28.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.61 0.719 . . . . 0.0 110.87 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -26.41 27.49 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.709 2.273 . . . . 0.0 112.3 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -143.84 164.0 31.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.667 ' CZ2' HG13 ' A' ' 76' ' ' VAL . 58.7 t-105 -61.05 108.35 0.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.941 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 39.3 p -100.48 166.88 10.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -69.96 -24.44 63.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.819 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -85.11 -14.22 47.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.494 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 28.1 m -55.51 139.78 42.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 39.6 p -109.44 -42.94 4.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.099 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.46 ' CE1' HH21 ' A' ' 82' ' ' ARG . 0.3 OUTLIER -127.98 161.87 28.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.644 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.732 HD23 HG21 ' A' ' 76' ' ' VAL . 1.2 tm? -119.92 121.09 38.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.963 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.679 ' N ' HD13 ' A' ' 63' ' ' LEU . 29.9 mm -90.61 97.73 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.159 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 41.3 t -105.24 140.25 38.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.414 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . . . -88.4 -40.07 13.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.414 ' CE1' ' HB3' ' A' ' 66' ' ' ALA . 0.4 OUTLIER -154.26 137.95 16.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.05 -178.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 65.62 45.26 2.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.2 p -125.39 158.17 65.16 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.563 0.697 . . . . 0.0 111.176 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -25.71 28.33 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.68 2.253 . . . . 0.0 112.316 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm -90.28 -34.68 15.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.472 ' CZ ' HD12 ' A' ' 77' ' ' LEU . 37.7 t80 -57.22 -59.22 5.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.6 t -60.42 -46.42 90.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.827 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -47.33 -61.56 1.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.732 HG21 HD23 ' A' ' 63' ' ' LEU . 39.9 t -65.59 -14.93 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.472 HD12 ' CZ ' ' A' ' 73' ' ' TYR . 4.8 tt -77.21 -57.99 3.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.961 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.77 -39.32 87.0 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.505 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 76' ' ' VAL . 20.2 mt -55.67 -38.0 69.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.853 0.359 . . . . 0.0 110.946 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 114.93 13.67 9.1 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.496 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -78.25 161.88 49.18 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.469 ' HG3' HD21 ' A' ' 105' ' ' LEU . 24.3 ttp180 -84.34 100.85 11.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.782 0.325 . . . . 0.0 110.871 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.463 ' CD1' ' O ' ' A' ' 73' ' ' TYR . 12.2 mt -91.52 125.67 44.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.779 HG11 ' HB2' ' A' ' 101' ' ' SER . 2.3 m -136.73 157.79 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -75.93 160.83 29.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -60.02 -30.17 68.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -45.0 -29.43 0.84 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 19.1 t90 -59.85 -52.77 64.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 81.1 t -66.52 -50.95 62.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 33.6 mt -51.1 -56.88 10.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -59.31 -58.49 8.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 96' ' ' ARG . 64.3 m -43.54 -49.48 7.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.441 ' ND1' ' HG2' ' A' ' 44' ' ' LYS . 7.2 t-80 -58.94 -67.72 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.637 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 -41.06 -60.29 1.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.48 ' HB3' ' NE ' ' A' ' 97' ' ' ARG . 4.2 mmt -66.79 -24.71 66.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 92' ' ' CYS . 69.3 mtm180 62.34 33.24 16.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.48 ' NE ' ' HB3' ' A' ' 95' ' ' MET . 8.1 ptp180 -129.8 176.28 8.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 29.6 ttt-85 -97.85 88.54 4.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 20.8 mt -81.63 148.87 63.1 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.604 0.716 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 121.43 8.13 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.779 ' HB2' HG11 ' A' ' 84' ' ' VAL . 33.2 p -76.98 -23.12 52.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.84 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -55.22 -32.41 62.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -75.39 -16.23 60.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -110.71 30.31 6.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.469 HD21 ' HG3' ' A' ' 82' ' ' ARG . 16.3 mt -85.63 121.13 27.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.896 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 11.0 mtm . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.816 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.88 0.371 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.683 HD22 ' HB3' ' A' ' 47' ' ' GLU . 5.4 mp -52.05 -51.92 54.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.956 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.45 -17.26 1.15 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.531 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.2 mttp -94.88 -28.36 15.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.709 0.29 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.5 HG23 ' HB2' ' A' ' 98' ' ' ARG . 62.4 mt -55.7 -59.03 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.153 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.468 ' CD1' HD13 ' A' ' 48' ' ' LEU . 66.8 mt -106.23 56.37 0.66 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -80.72 107.19 13.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.41 29.34 10.25 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.0 t -119.29 144.59 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 111.156 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.558 HG22 ' HE3' ' A' ' 51' ' ' LYS . 22.0 t -120.51 113.03 38.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.5 m -105.82 148.84 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.408 HG22 ' HB2' ' A' ' 53' ' ' ARG . 48.3 t -130.56 126.96 61.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.76 HD12 ' CE1' ' A' ' 52' ' ' TYR . 18.7 mt -87.55 124.94 34.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.7 t -141.47 105.44 4.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.812 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.6 50.09 1.73 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.488 ' HZ ' HG22 ' A' ' 64' ' ' ILE . 88.9 m-85 -125.35 161.83 26.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 0.0 110.868 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -140.05 124.83 18.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.491 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.4 OUTLIER -60.01 159.98 18.27 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.708 . . . . 0.0 110.901 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 54.1 Cg_endo -69.78 -27.33 6.89 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.336 -0.048 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 36' ' ' PRO . 13.6 t80 -36.76 -47.91 0.7 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -52.68 -55.9 19.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 95.2 p -59.23 -58.43 8.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -47.28 -51.91 17.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.4 tp -53.22 -48.64 67.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.513 ' HD2' ' CD2' ' A' ' 52' ' ' TYR . 27.0 ttp180 -57.21 -42.57 81.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -54.22 -59.51 4.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.544 ' HG3' ' CD2' ' A' ' 93' ' ' HIS . 1.7 mptp? -50.49 -45.65 56.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.651 ' HA ' HD12 ' A' ' 48' ' ' LEU . . . -55.26 -41.18 71.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.091 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.2 mt -63.33 -41.79 98.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.683 ' HB3' HD22 ' A' ' 19' ' ' LEU . 3.1 mp0 -56.56 -37.75 70.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.651 HD12 ' HA ' ' A' ' 45' ' ' ALA . 5.7 mt -70.88 -14.77 62.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.972 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.69 16.2 49.74 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.512 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.77 147.54 26.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.841 0.353 . . . . 0.0 111.07 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.558 ' HE3' HG22 ' A' ' 27' ' ' VAL . 32.9 mtmt -88.8 123.93 33.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.935 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.76 ' CE1' HD12 ' A' ' 30' ' ' LEU . 3.7 t80 -101.75 112.08 24.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.447 ' HE ' HG21 ' A' ' 57' ' ' THR . 32.1 mmm180 -107.63 143.53 27.45 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.61 0.719 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -12.53 33.18 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.721 2.28 . . . . 0.0 112.308 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -152.74 163.8 39.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.476 ' CZ2' HG13 ' A' ' 76' ' ' VAL . 72.8 t-105 -64.71 102.66 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.447 HG21 ' HE ' ' A' ' 53' ' ' ARG . 11.1 p -85.2 -175.85 5.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.13 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.26 -3.5 57.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -106.24 -15.47 14.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.827 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.407 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 64.1 m -51.58 129.17 25.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 71.5 p -110.63 -31.27 7.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.085 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -136.73 125.11 23.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.59 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.786 HD22 HG21 ' A' ' 76' ' ' VAL . 11.4 tp -95.07 114.1 25.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.99 -1.004 . . . . 0.0 110.857 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.606 HG23 ' HA ' ' A' ' 86' ' ' LYS . 43.8 mm -80.14 97.86 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 19.5 t -98.53 141.18 31.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.34 -33.82 23.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -160.96 145.1 13.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.57 -179.71 2.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.086 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 67.52 37.24 3.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.44 160.07 35.91 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.558 0.694 . . . . 0.0 111.156 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -29.91 23.35 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.668 2.245 . . . . 0.0 112.345 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.74 -26.72 27.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.691 ' CE1' HD12 ' A' ' 77' ' ' LEU . 3.0 t80 -63.82 -45.64 88.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.3 t -65.06 -47.48 77.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.843 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -47.41 -64.09 0.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.786 HG21 HD22 ' A' ' 63' ' ' LEU . 42.1 t -60.67 -14.86 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.691 HD12 ' CE1' ' A' ' 73' ' ' TYR . 4.6 tt -75.11 -46.25 35.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -72.08 -37.58 59.99 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.493 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 35.0 mt -58.07 -47.17 83.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.832 0.349 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 122.49 27.92 1.54 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -94.19 152.56 20.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -76.86 103.24 6.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.772 0.32 . . . . 0.0 110.911 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.61 HG12 HD23 ' A' ' 63' ' ' LEU . 21.0 mt -91.6 112.16 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.549 HG11 ' HB2' ' A' ' 101' ' ' SER . 17.4 m -126.21 167.46 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 29.7 mmm-85 -71.94 173.81 7.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.606 ' HA ' HG23 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -83.79 -33.82 24.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -47.21 -31.42 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 27.7 t90 -49.48 -49.74 44.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 89.4 t -65.33 -55.12 21.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.114 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 78.4 mt -49.14 -64.46 0.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -48.06 -48.74 33.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.8 m -53.67 -48.18 69.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.544 ' CD2' ' HG3' ' A' ' 44' ' ' LYS . 45.8 t60 -67.32 -64.55 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.576 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -39.33 -54.22 1.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 28.3 mtm -80.8 -15.18 57.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.494 ' C ' HD11 ' A' ' 22' ' ' ILE . 60.3 mtm180 58.29 38.7 26.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -135.52 160.23 39.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.5 ' HB2' HG23 ' A' ' 22' ' ' ILE . 36.8 ttt-85 -88.6 117.23 27.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 26.1 mt -104.32 145.67 31.13 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.603 0.716 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 101.06 0.87 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.66 2.24 . . . . 0.0 112.357 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.549 ' HB2' HG11 ' A' ' 84' ' ' VAL . 24.0 p -43.51 -24.62 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.468 ' HA ' ' CD1' ' A' ' 105' ' ' LEU . 3.5 mp0 -52.83 -43.95 66.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -60.6 -17.54 47.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -117.51 34.64 5.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 102' ' ' GLN . 10.1 mt -84.37 109.92 18.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.927 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 12.3 mtm . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 179.873 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.919 0.39 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.852 HD22 ' HB3' ' A' ' 47' ' ' GLU . 5.5 mp -61.82 -47.37 85.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.49 -15.14 2.72 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.17 -19.27 16.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.757 0.313 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.559 HD11 ' C ' ' A' ' 96' ' ' ARG . 75.4 mt -63.31 -58.4 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.417 ' CD1' HD13 ' A' ' 48' ' ' LEU . 48.8 mt -110.34 49.06 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.02 116.9 12.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.35 31.92 32.71 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.511 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.2 t -117.16 146.73 21.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.84 0.353 . . . . 0.0 111.175 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.494 HG21 ' OD2' ' A' ' 59' ' ' ASP . 57.7 t -119.24 119.4 60.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.5 m -116.29 146.32 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.5 t -120.49 125.88 74.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.701 HD12 ' CE1' ' A' ' 52' ' ' TYR . 94.8 mt -83.2 117.57 23.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.514 ' O ' ' CD2' ' A' ' 33' ' ' PHE . 7.7 t -124.13 153.82 40.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 39.38 53.28 2.82 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.512 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.514 ' CD2' ' O ' ' A' ' 31' ' ' SER . 45.3 m-85 -124.59 150.3 46.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 0.0 110.86 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -140.78 136.15 32.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.509 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.6 OUTLIER -65.85 160.47 61.94 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.591 0.71 . . . . 0.0 110.895 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.6 Cg_endo -69.79 -27.47 6.82 Favored 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.325 -0.038 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' A' ' 36' ' ' PRO . 51.5 t80 -35.37 -49.9 0.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -53.13 -53.5 49.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.1 p -57.62 -47.67 81.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -57.13 -53.22 60.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 39.8 tp -60.75 -44.43 96.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.591 ' NH1' HD11 ' A' ' 46' ' ' LEU . 2.9 tmm_? -51.89 -44.45 63.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.465 ' HA ' HD12 ' A' ' 46' ' ' LEU . 7.0 t70 -59.99 -55.95 27.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -48.03 -51.23 24.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.27 -35.97 39.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.077 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.591 HD11 ' NH1' ' A' ' 42' ' ' ARG . 42.1 mt -70.07 -46.45 64.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.852 ' HB3' HD22 ' A' ' 19' ' ' LEU . 17.0 mm-40 -51.18 -44.96 61.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.526 ' CD1' HG13 ' A' ' 89' ' ' VAL . 8.9 mt -65.29 -17.13 64.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.43 30.45 9.89 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.498 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.23 152.24 20.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 111.08 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -92.1 122.69 34.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.701 ' CE1' HD12 ' A' ' 30' ' ' LEU . 1.3 t80 -97.28 108.55 21.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -105.06 143.26 26.37 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.623 0.725 . . . . 0.0 110.853 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -20.58 34.58 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.728 2.285 . . . . 0.0 112.32 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -143.97 159.05 43.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.553 ' CZ3' ' HB3' ' A' ' 60' ' ' SER . 62.4 t-105 -57.27 105.49 0.24 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.3 p -92.57 170.44 9.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -78.02 -1.61 33.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.494 ' OD2' HG21 ' A' ' 27' ' ' VAL . 30.2 t0 -108.43 -7.36 15.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.553 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 4.3 m -59.64 125.5 23.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.469 ' C ' ' ND1' ' A' ' 62' ' ' HIS . 22.0 p -108.31 -30.9 8.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.1 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.58 ' CD2' ' CH2' ' A' ' 88' ' ' TRP . 0.2 OUTLIER -135.13 126.66 28.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.541 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.579 HD23 HG12 ' A' ' 83' ' ' ILE . 20.4 tp -95.59 120.22 35.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.606 HG23 ' HA ' ' A' ' 86' ' ' LYS . 13.2 mm -93.38 91.31 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 6.7 t -94.45 145.34 24.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.86 -42.91 26.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -161.05 161.08 31.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.53 -178.07 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 57.38 51.98 9.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.7 p -127.88 157.24 74.29 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.6 0.714 . . . . 0.0 111.115 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -18.81 37.09 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.676 2.25 . . . . 0.0 112.341 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -94.12 -31.94 13.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.532 ' CE2' HD12 ' A' ' 77' ' ' LEU . 73.5 t80 -56.99 -58.66 7.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.8 t -61.97 -49.08 77.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.802 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -43.36 -58.15 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.516 HG21 HD22 ' A' ' 63' ' ' LEU . 39.3 t -71.09 -14.97 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.532 HD12 ' CE2' ' A' ' 73' ' ' TYR . 2.2 tt -72.05 -52.17 18.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.95 -39.74 93.33 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.484 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 43.5 mt -53.9 -43.58 69.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.88 0.372 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 114.79 29.66 2.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.47 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -93.11 174.63 35.71 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.422 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.512 HH21 ' CE1' ' A' ' 62' ' ' HIS . 13.7 ttp-105 -97.79 105.27 17.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.328 . . . . 0.0 110.909 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.579 HG12 HD23 ' A' ' 63' ' ' LEU . 22.4 mt -91.97 113.48 27.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.585 HG11 ' HB2' ' A' ' 101' ' ' SER . 16.8 m -128.43 151.13 34.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.096 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.9 mtp180 -64.59 171.18 3.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.606 ' HA ' HG23 ' A' ' 64' ' ' ILE . 14.4 pttp -76.39 -23.48 54.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.496 ' HA ' HD12 ' A' ' 90' ' ' LEU . 16.1 mm-40 -50.42 -38.59 43.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.58 ' CH2' ' CD2' ' A' ' 62' ' ' HIS . 27.2 t90 -46.58 -43.02 16.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.526 HG13 ' CD1' ' A' ' 48' ' ' LEU . 93.5 t -72.91 -58.66 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.162 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 87' ' ' GLU . 13.1 mt -42.51 -71.36 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -44.5 -47.69 10.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.8 m -55.56 -43.74 76.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.424 ' O ' ' N ' ' A' ' 96' ' ' ARG . 24.5 t60 -72.21 -63.59 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.584 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.7 tpp85 -42.44 -44.69 4.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.452 ' CB ' ' HG2' ' A' ' 97' ' ' ARG . 5.0 mtm -91.22 -11.49 38.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.559 ' C ' HD11 ' A' ' 22' ' ' ILE . 27.5 mtm-85 50.95 42.31 28.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.452 ' HG2' ' CB ' ' A' ' 95' ' ' MET . 5.1 ptp180 -137.1 158.75 43.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 17.0 ttt-85 -85.33 107.02 17.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.6 mt -102.33 148.86 36.04 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.561 0.695 . . . . 0.0 110.941 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 129.28 17.27 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.705 2.27 . . . . 0.0 112.281 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.585 ' HB2' HG11 ' A' ' 84' ' ' VAL . 64.6 p -71.09 -10.5 59.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -54.89 -53.53 54.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.584 ' HG3' ' CD2' ' A' ' 104' ' ' TYR . 3.3 ptp180 -63.22 -12.26 27.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.584 ' CD2' ' HG3' ' A' ' 103' ' ' ARG . 81.3 m-85 -112.81 28.03 9.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.0 mt -79.99 125.69 30.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.3 mtp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.853 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.795 ' HG2' HD12 ' A' ' 19' ' ' LEU . 6.2 pt-20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.849 0.357 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.795 HD12 ' HG2' ' A' ' 18' ' ' GLU . 5.5 mp -61.42 -55.8 27.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.47 -17.61 2.02 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.503 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.9 mmtm -89.73 -26.85 20.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.692 0.282 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.492 HD11 ' O ' ' A' ' 96' ' ' ARG . 45.8 mt -57.51 -57.71 9.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.6 mt -106.76 57.3 0.64 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.939 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -78.88 112.54 16.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.6 23.69 41.98 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.8 t -110.5 146.24 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 0.0 111.103 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.417 HG22 ' HB2' ' A' ' 51' ' ' LYS . 65.0 t -124.06 115.0 43.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.1 m -105.25 153.95 6.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.174 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.9 t -128.47 125.85 64.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.0 mt -87.06 119.1 26.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.963 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 85.3 p -129.53 133.13 47.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 67.0 43.34 91.41 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.492 ' CE1' ' HB2' ' A' ' 66' ' ' ALA . 64.5 m-85 -126.28 150.68 48.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 0.0 110.861 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.4 pm0 -140.23 140.57 35.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.54 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 1.2 p-10 -62.31 154.17 72.45 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.564 0.697 . . . . 0.0 110.944 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.7 Cg_endo -69.79 -26.41 7.44 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.363 -0.007 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.435 ' C ' ' O ' ' A' ' 36' ' ' PRO . 1.7 t80 -34.85 -50.34 0.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -54.68 -47.71 73.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 36' ' ' PRO . 1.5 t -61.63 -48.53 80.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -56.49 -48.08 77.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.459 ' CD1' ' CE1' ' A' ' 33' ' ' PHE . 10.3 mt -61.76 -57.63 11.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -52.11 -46.7 65.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -53.32 -59.19 4.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -56.79 -38.24 72.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.33 -35.01 76.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.0 mt -69.42 -39.78 77.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.607 ' HB3' HD22 ' A' ' 19' ' ' LEU . 14.7 mm-40 -52.52 -52.17 56.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.4 mt -57.37 -18.77 19.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.04 22.12 23.71 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.34 154.84 17.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 111.127 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.417 ' HB2' HG22 ' A' ' 27' ' ' VAL . 14.2 mtpt -91.12 142.26 27.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -111.71 112.25 23.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -115.38 143.81 31.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.556 0.693 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -12.85 33.79 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.655 2.237 . . . . 0.0 112.374 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' A' ' 56' ' ' TRP . 7.5 t70 -151.72 169.65 21.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.588 ' CZ2' ' O ' ' A' ' 60' ' ' SER . 70.3 t-105 -74.58 121.92 22.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.7 p -110.31 -178.02 3.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.153 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.5 ptt85 -74.68 -4.53 37.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -110.45 -23.09 11.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.588 ' O ' ' CZ2' ' A' ' 56' ' ' TRP . 4.0 m -51.8 106.36 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.825 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.8 p -85.81 -45.09 11.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.137 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -122.42 148.01 45.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.57 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.675 HD23 HG23 ' A' ' 83' ' ' ILE . 3.7 tp -118.0 128.62 54.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.99 -1.004 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.5 mm -89.14 91.62 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 42.3 t -95.49 114.06 25.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.492 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . . . -67.27 -35.19 78.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -161.17 142.5 11.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.71 -175.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.102 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.3 m120 64.33 26.14 13.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -110.5 159.9 30.52 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.566 0.698 . . . . 0.0 111.156 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -19.33 36.29 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.733 2.289 . . . . 0.0 112.293 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.06 -18.24 24.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.866 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -76.41 -48.84 18.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.5 m -73.16 -31.68 64.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.838 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -61.17 -60.39 3.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.495 HG21 HD13 ' A' ' 63' ' ' LEU . 39.3 t -67.04 -14.96 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.569 ' CA ' HD11 ' A' ' 83' ' ' ILE . 37.8 tp -78.61 -50.44 11.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -62.05 -32.93 84.01 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 76' ' ' VAL . 9.1 mt -71.11 -57.52 4.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.801 0.334 . . . . 0.0 110.93 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 131.16 28.8 0.63 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -87.66 173.73 43.96 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.521 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.549 ' HG3' HD21 ' A' ' 105' ' ' LEU . 8.1 ttm180 -88.21 94.82 9.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 110.863 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.675 HG23 HD23 ' A' ' 63' ' ' LEU . 35.1 mt -84.26 120.61 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.109 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.408 HG11 ' HB2' ' A' ' 101' ' ' SER . 15.7 m -138.65 176.59 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.117 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -94.88 -178.13 4.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.4 pttm -77.48 -29.65 52.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -43.78 -32.24 1.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 19.9 t90 -58.99 -60.11 4.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 95.7 t -59.64 -52.36 61.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 28.4 mt -49.68 -57.36 7.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.453 ' HB3' HD11 ' A' ' 99' ' ' LEU . 3.8 m-20 -62.18 -41.6 98.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 2.8 m -56.4 -44.86 80.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -76.84 -60.77 2.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.57 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -43.27 -33.93 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 5.5 mtm -104.8 -11.84 16.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.492 ' O ' HD11 ' A' ' 22' ' ' ILE . 51.1 mtm180 52.54 41.83 31.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -137.82 166.11 24.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.477 ' HB2' HG23 ' A' ' 22' ' ' ILE . 47.4 ttt85 -92.63 115.3 27.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.453 HD11 ' HB3' ' A' ' 91' ' ' ASP . 58.0 mt -103.03 144.01 27.77 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.614 0.721 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 93.4 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 2.245 . . . . 0.0 112.352 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.408 ' HB2' HG11 ' A' ' 84' ' ' VAL . 16.2 p -49.6 -21.17 0.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -53.78 -25.11 17.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -92.45 -14.75 28.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -107.23 23.16 14.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.549 HD21 ' HG3' ' A' ' 82' ' ' ARG . 63.1 mt -84.2 133.39 34.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.934 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.4 mtm . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 179.841 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.875 0.369 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.697 HD22 ' HB3' ' A' ' 47' ' ' GLU . 5.6 mp -59.21 -49.16 78.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 47' ' ' GLU . . . -47.84 -18.61 0.74 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.458 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.6 mttp -90.07 -29.45 18.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.757 0.313 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.43 HD12 HD23 ' A' ' 48' ' ' LEU . 74.9 mt -52.49 -57.71 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.118 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.8 mt -109.38 47.91 0.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.963 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -68.9 113.15 6.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.89 36.56 9.08 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.446 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.429 HG12 ' N ' ' A' ' 27' ' ' VAL . 84.7 t -120.34 153.82 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.361 . . . . 0.0 111.091 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.429 ' N ' HG12 ' A' ' 26' ' ' VAL . 65.9 t -128.2 115.96 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.6 m -112.16 169.78 4.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.1 t -144.36 125.21 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.697 HD12 ' CE1' ' A' ' 52' ' ' TYR . 64.0 mt -82.08 117.71 22.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.2 t -127.84 134.29 49.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 67.4 42.09 90.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.541 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -120.32 151.68 38.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.782 0.325 . . . . 0.0 110.908 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -142.86 123.28 13.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.546 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 11.7 p-10 -50.8 153.84 2.72 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.64 0.733 . . . . 0.0 110.904 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 54.3 Cg_endo -69.75 -26.2 7.54 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.399 -0.073 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.458 ' C ' ' O ' ' A' ' 36' ' ' PRO . 15.8 t80 -34.04 -60.69 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -45.75 -53.25 9.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.0 t -58.03 -58.66 7.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -45.09 -47.81 11.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.515 HD23 HD22 ' A' ' 30' ' ' LEU . 57.0 tp -64.76 -46.5 81.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.604 ' CZ ' ' CD2' ' A' ' 52' ' ' TYR . 9.9 tpt180 -44.51 -53.7 6.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -55.99 -54.66 42.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -46.38 -49.44 17.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.654 ' HA ' HD12 ' A' ' 48' ' ' LEU . . . -62.06 -41.69 98.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.085 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.9 -43.29 98.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.697 ' HB3' HD22 ' A' ' 19' ' ' LEU . 4.6 mm-40 -53.69 -48.83 69.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' A' ' 45' ' ' ALA . 4.4 mt -58.24 -23.48 56.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.63 26.81 8.35 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.99 151.57 20.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.834 0.349 . . . . 0.0 111.112 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.451 ' HD2' ' N ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -85.18 130.98 34.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.697 ' CE1' HD12 ' A' ' 30' ' ' LEU . 7.1 t80 -103.05 107.15 17.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.457 ' HD2' HG21 ' A' ' 57' ' ' THR . 15.5 mmt180 -105.62 140.82 21.56 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.625 0.726 . . . . 0.0 110.874 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.77 -16.7 37.63 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -149.4 162.41 40.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.478 ' CZ3' ' HB3' ' A' ' 60' ' ' SER . 55.5 t-105 -63.94 99.95 0.28 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.457 HG21 ' HD2' ' A' ' 53' ' ' ARG . 48.9 p -93.88 -179.73 5.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.12 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.07 -32.95 67.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.401 ' HB3' HG21 ' A' ' 27' ' ' VAL . 45.8 m-20 -74.34 -17.76 60.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.478 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 17.5 m -53.18 118.14 3.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.7 p -107.35 -36.68 6.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.163 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -126.41 143.05 51.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.607 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.491 HD22 ' CB ' ' A' ' 76' ' ' VAL . 15.7 tp -109.36 117.43 34.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.561 HG23 ' HA ' ' A' ' 86' ' ' LYS . 25.8 mm -87.05 89.7 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 36.0 t -94.61 138.19 32.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.69 -41.11 46.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -160.53 155.12 23.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.84 -177.88 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.2 m120 63.95 33.29 12.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.59 157.49 44.16 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.584 0.707 . . . . 0.0 111.18 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -17.31 37.74 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.698 2.265 . . . . 0.0 112.333 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.5 tptp -97.17 -15.66 20.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -78.63 -44.13 24.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.9 m -76.32 -34.14 59.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -59.62 -61.3 2.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.491 ' CB ' HD22 ' A' ' 63' ' ' LEU . 39.8 t -63.98 -15.0 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.103 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.611 ' CA ' HD11 ' A' ' 83' ' ' ILE . 59.2 tp -75.82 -46.38 30.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.47 -37.32 92.58 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.467 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 76' ' ' VAL . 20.7 mt -61.62 -42.87 99.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.808 0.337 . . . . 0.0 110.891 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 111.84 37.86 1.49 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.515 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -99.84 163.84 19.54 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.511 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 17.0 ttm-85 -76.03 95.12 3.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.351 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.611 HD11 ' CA ' ' A' ' 77' ' ' LEU . 67.2 mt -85.83 112.96 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.624 HG11 ' OG ' ' A' ' 101' ' ' SER . 30.8 m -129.88 153.97 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.403 ' HG2' ' CE ' ' A' ' 106' ' ' MET . 98.9 mtt180 -74.67 159.26 32.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.561 ' HA ' HG23 ' A' ' 64' ' ' ILE . 17.5 pttm -59.94 -39.07 84.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.549 ' HA ' HD12 ' A' ' 90' ' ' LEU . 27.7 tt0 -38.37 -41.3 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.49 ' HA ' ' CE2' ' A' ' 104' ' ' TYR . 25.0 t90 -43.94 -46.03 7.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 95.7 t -72.05 -51.68 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 87' ' ' GLU . 46.5 mt -47.11 -68.37 0.2 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.417 ' HB3' ' CD1' ' A' ' 99' ' ' LEU . 0.5 OUTLIER -51.07 -56.47 12.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 19.7 m -46.18 -41.75 13.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 59.9 t60 -71.78 -63.26 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.638 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -38.49 -57.29 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.825 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 12.5 mtm -78.28 -24.55 46.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.411 ' C ' HD11 ' A' ' 22' ' ' ILE . 64.7 mtt85 63.74 42.65 6.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -143.89 153.47 42.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.4 121.58 17.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.417 ' CD1' ' HB3' ' A' ' 91' ' ' ASP . 96.3 mt -111.7 153.02 44.49 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.638 0.733 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 100.83 0.85 Allowed 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.693 2.262 . . . . 0.0 112.359 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.624 ' OG ' HG11 ' A' ' 84' ' ' VAL . 1.1 t -58.1 -27.86 64.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -40.05 -57.68 1.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -57.05 -28.18 62.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.49 ' CE2' ' HA ' ' A' ' 88' ' ' TRP . 69.9 m-85 -80.58 -32.13 36.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.532 HD23 HG12 ' A' ' 84' ' ' VAL . 68.4 mt -45.18 108.17 0.12 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.403 ' CE ' ' HG2' ' A' ' 85' ' ' ARG . 5.0 mtm . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.891 0.377 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.741 HD22 ' HB3' ' A' ' 47' ' ' GLU . 5.0 mp -71.85 -36.79 70.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.95 -9.05 9.28 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt -102.51 4.77 38.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.768 0.318 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.0 mt -89.13 -57.98 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.427 ' CD1' HD13 ' A' ' 48' ' ' LEU . 78.1 mt -110.81 41.42 1.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -64.31 129.75 41.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.85 25.45 67.05 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.464 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.414 HG12 ' N ' ' A' ' 27' ' ' VAL . 65.5 t -117.51 153.48 19.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.916 0.389 . . . . 0.0 111.094 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.414 ' N ' HG12 ' A' ' 26' ' ' VAL . 55.0 t -126.84 141.27 46.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.8 m -133.72 141.34 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.147 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.6 t -116.62 126.15 73.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.155 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.81 HD21 HD12 ' A' ' 41' ' ' LEU . 96.7 mt -84.92 132.23 34.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.0 m -151.46 133.86 15.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.59 48.55 61.79 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.521 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.474 ' CZ ' HG22 ' A' ' 64' ' ' ILE . 42.3 m-85 -127.64 155.36 44.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 0.0 110.886 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -137.23 140.53 41.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.5 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 13.8 m-80 -65.36 160.93 54.83 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.622 0.725 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.4 Cg_endo -69.75 -29.18 5.84 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.648 -1.813 . . . . 0.0 112.329 -0.104 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.719 ' CZ ' HD23 ' A' ' 41' ' ' LEU . 11.1 t80 -35.37 -52.66 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 37' ' ' PHE . 9.7 tpp85 -35.41 -50.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.2 t -67.13 -55.63 13.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -43.46 -44.27 5.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.81 HD12 HD21 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -53.8 -54.22 41.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.956 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.52 ' HD2' ' CD2' ' A' ' 52' ' ' TYR . 29.5 ttp180 -60.39 -58.55 8.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -41.28 -51.4 3.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.499 ' HG2' ' CG ' ' A' ' 93' ' ' HIS . 43.2 mttp -66.17 -39.81 90.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.91 -33.29 75.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 69.9 mt -68.5 -49.23 61.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.963 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.741 ' HB3' HD22 ' A' ' 19' ' ' LEU . 12.0 mm-40 -49.68 -49.83 45.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.427 HD13 ' CD1' ' A' ' 23' ' ' LEU . 11.7 mt -57.58 -18.46 19.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.21 13.11 43.38 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.518 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.5 141.7 28.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.368 . . . . 0.0 111.067 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -85.3 128.41 34.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.806 ' CE1' HD12 ' A' ' 30' ' ' LEU . 3.8 t80 -95.89 127.91 42.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -123.67 144.63 44.99 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.608 0.718 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -24.32 29.62 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.716 2.278 . . . . 0.0 112.301 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -147.68 170.57 17.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.592 ' CZ2' HG13 ' A' ' 76' ' ' VAL . 31.2 t-105 -59.27 139.11 57.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.8 p -133.87 156.59 47.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.156 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.406 ' C ' ' HD3' ' A' ' 58' ' ' ARG . 2.9 tmt_? -57.81 -29.05 64.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.71 -11.31 56.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.446 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 68.0 m -56.85 123.16 14.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 51.3 p -106.0 -41.38 5.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -128.32 152.08 48.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.624 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.622 HD22 HG21 ' A' ' 76' ' ' VAL . 11.3 tp -122.14 128.38 51.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.977 -1.011 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.474 HG22 ' CZ ' ' A' ' 33' ' ' PHE . 20.4 mm -90.82 98.01 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 23.4 t -100.49 144.53 29.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.93 -30.86 16.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.111 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -164.54 156.23 15.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.26 -175.46 1.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.113 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 61.39 32.34 19.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.1 p -109.79 157.12 38.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.612 0.72 . . . . 0.0 111.17 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -19.92 35.64 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.651 2.234 . . . . 0.0 112.355 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.0 tptp -96.19 -9.21 31.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.432 ' HD1' HG21 ' A' ' 83' ' ' ILE . 34.2 t80 -79.35 -45.7 19.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -78.27 -36.2 47.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.849 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 19.8 tp60 -55.5 -51.54 66.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.622 HG21 HD22 ' A' ' 63' ' ' LEU . 38.6 t -78.89 -14.93 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.172 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 38.8 tp -69.02 -44.07 73.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -74.98 -36.91 45.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.465 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.543 HD13 ' CD1' ' A' ' 56' ' ' TRP . 67.9 mt -54.95 -41.87 71.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.87 0.367 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 116.04 21.38 4.93 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.479 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -85.2 167.14 41.15 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.479 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -91.33 98.23 11.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.826 0.345 . . . . 0.0 110.895 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.432 HG21 ' HD1' ' A' ' 73' ' ' TYR . 33.1 mt -85.0 115.05 26.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.0 m -134.67 160.17 41.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -79.05 167.01 21.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.6 pttt -65.07 -31.99 73.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.0 -28.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 23.2 t90 -62.8 -49.2 75.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 71.4 t -70.12 -48.91 59.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.077 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 58.5 mt -47.42 -59.27 3.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -61.01 -46.47 90.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 17.4 m -52.37 -37.23 55.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.499 ' CG ' ' HG2' ' A' ' 44' ' ' LYS . 59.3 t-80 -80.43 -57.7 3.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.563 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -44.74 -39.15 4.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 32.0 mtm -102.0 -10.52 19.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.9 mtm-85 48.3 42.9 18.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.1 ptp85 -139.39 154.83 47.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -69.47 121.06 16.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.819 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 84.1 mt -111.65 144.07 29.86 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.619 0.723 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 109.2 2.26 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.35 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.6 p -64.73 -13.18 53.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -61.69 -25.6 67.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 16.2 mtt85 -86.81 -24.74 24.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -103.9 28.87 6.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 105' ' ' LEU . 12.5 mt -78.1 128.28 33.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.7 mtp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.83 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.908 0.385 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.617 HD13 HD12 ' A' ' 22' ' ' ILE . 4.3 mm? -79.53 -48.75 13.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.9 -16.37 5.85 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.458 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.07 -22.36 22.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.792 0.33 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.617 HD12 HD13 ' A' ' 19' ' ' LEU . 37.2 mt -62.94 -58.33 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.142 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.1 mt -109.37 39.96 1.96 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -60.15 124.12 19.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.85 32.27 53.93 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.462 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.5 t -116.35 150.36 18.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 111.13 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -130.52 116.97 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.3 m -110.1 140.52 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.9 t -117.65 125.42 74.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.14 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.453 HD22 HD23 ' A' ' 41' ' ' LEU . 66.3 mt -82.11 126.98 32.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 t -152.43 107.49 3.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.824 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.04 40.2 2.91 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.567 ' HZ ' HG22 ' A' ' 64' ' ' ILE . 66.3 m-85 -126.59 163.65 22.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -141.56 123.86 15.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.491 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -55.5 160.7 3.56 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 110.902 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 54.0 Cg_endo -69.75 -11.0 11.75 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.375 -0.066 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -39.17 -54.13 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 35' ' ' ASN . 37.5 mtp180 -44.12 -68.49 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.3 m -44.58 -62.59 1.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -43.57 -50.93 7.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.453 HD23 HD22 ' A' ' 30' ' ' LEU . 44.5 tp -57.69 -64.67 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.567 ' HG3' ' CD2' ' A' ' 52' ' ' TYR . 16.9 ttt180 -37.86 -54.8 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -43.69 -66.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.6 mttt -49.34 -42.04 40.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.63 -40.26 87.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.7 mt -63.78 -35.76 81.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -56.92 -51.17 70.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.553 HD23 HD12 ' A' ' 19' ' ' LEU . 12.6 mt -59.46 -11.93 5.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.34 20.09 43.02 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.479 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.31 147.19 23.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 0.0 111.133 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -91.71 128.71 37.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.567 ' CD2' ' HG3' ' A' ' 42' ' ' ARG . 0.4 OUTLIER -98.17 109.86 22.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 -105.53 142.91 25.74 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.618 0.723 . . . . 0.0 110.844 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -16.89 37.71 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.713 2.275 . . . . 0.0 112.346 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.8 p30 -148.65 163.32 37.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.623 ' CE2' HG13 ' A' ' 76' ' ' VAL . 61.6 t-105 -71.04 105.08 3.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 78.9 p -91.27 -178.52 5.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.149 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -82.42 1.0 39.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -110.78 -9.89 14.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.56 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 39.9 m -55.16 129.76 39.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.826 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 72.7 p -109.5 -32.27 7.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.116 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.568 ' CD2' ' HD2' ' A' ' 82' ' ' ARG . 3.7 m80 -138.44 144.56 40.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.581 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.527 ' HB2' ' CZ3' ' A' ' 56' ' ' TRP . 20.8 tp -114.46 122.84 47.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.999 -1.001 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.567 HG22 ' HZ ' ' A' ' 33' ' ' PHE . 23.8 mm -89.1 91.06 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 34.3 t -93.08 144.2 25.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.6 -31.46 19.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.069 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -163.2 151.05 13.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.44 -178.0 1.02 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.123 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 31.9 m-20 61.75 51.83 3.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.7 p -128.7 157.1 76.31 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.591 0.71 . . . . 0.0 111.115 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -19.18 36.41 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.654 2.236 . . . . 0.0 112.362 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.2 tptp -94.89 -32.66 13.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.588 ' CE1' HD12 ' A' ' 77' ' ' LEU . 14.0 t80 -57.03 -57.85 10.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 t -60.9 -52.46 64.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.839 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -43.3 -58.88 2.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.937 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.623 HG13 ' CE2' ' A' ' 56' ' ' TRP . 39.2 t -67.21 -15.01 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.588 HD12 ' CE1' ' A' ' 73' ' ' TYR . 3.3 tt -75.19 -47.96 25.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.95 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.64 -36.29 67.49 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.9 mt -55.39 -46.88 76.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.857 0.36 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 121.41 30.18 1.33 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.487 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -97.3 168.56 24.35 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.45 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.568 ' HD2' ' CD2' ' A' ' 62' ' ' HIS . 10.7 ttm180 -89.93 97.85 11.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.78 0.324 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.447 HD11 ' CA ' ' A' ' 77' ' ' LEU . 65.9 mt -84.87 112.86 22.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.167 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.3 m -126.19 164.81 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 25.1 mtt85 -83.55 166.64 18.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.501 ' HA ' HG23 ' A' ' 64' ' ' ILE . 20.2 pttp -65.12 -44.24 89.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.531 ' HA ' HD12 ' A' ' 90' ' ' LEU . 0.7 OUTLIER -42.25 -28.87 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 23.8 t90 -50.59 -51.26 50.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 66.7 t -68.73 -50.06 58.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 87' ' ' GLU . 34.7 mt -49.64 -59.63 3.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -59.54 -57.88 11.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 96' ' ' ARG . 15.9 m -42.0 -55.66 3.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.411 ' O ' ' N ' ' A' ' 96' ' ' ARG . 44.5 t-80 -57.5 -59.81 4.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.631 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.3 tpt85 -39.8 -59.99 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 5.5 mtm -77.56 -12.18 59.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.535 ' HD3' HD21 ' A' ' 19' ' ' LEU . 70.3 mtt-85 50.34 46.94 24.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -147.8 164.46 33.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -79.7 98.96 7.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 47.1 mt -83.61 153.87 65.03 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.646 0.736 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 100.94 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.715 2.277 . . . . 0.0 112.351 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.1 t -58.47 -31.1 67.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.639 ' HA ' HD12 ' A' ' 105' ' ' LEU . 6.2 pt20 -47.5 -31.99 4.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -73.21 -30.05 63.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -97.32 -13.88 21.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.639 HD12 ' HA ' ' A' ' 102' ' ' GLN . 22.7 mt -52.77 107.51 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.4 mtp . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.838 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.886 0.374 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.49 HD22 ' HB3' ' A' ' 47' ' ' GLU . 5.1 mp -59.54 -37.76 79.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.61 -13.19 22.83 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.491 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -93.84 -0.46 55.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.773 0.32 . . . . 0.0 110.942 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.48 HD13 ' CA ' ' A' ' 97' ' ' ARG . 7.1 mt -83.0 -57.85 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.424 ' CD1' HD13 ' A' ' 48' ' ' LEU . 50.7 mt -110.89 43.11 1.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -68.06 120.84 14.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.0 29.17 23.78 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.452 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.5 t -122.09 147.29 26.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.84 0.352 . . . . 0.0 111.125 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.4 t -123.47 117.72 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.554 HG21 ' HB1' ' A' ' 45' ' ' ALA . 3.1 m -108.12 133.76 52.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.3 t -110.78 123.45 66.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.761 HD22 HD23 ' A' ' 41' ' ' LEU . 81.3 mt -82.99 116.68 22.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.9 t -142.66 106.24 4.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.468 ' O ' ' CB ' ' A' ' 66' ' ' ALA . . . 106.91 34.4 3.01 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.698 ' CZ ' HG22 ' A' ' 64' ' ' ILE . 66.9 m-85 -127.52 160.95 29.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 0.0 110.855 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.485 ' O ' ' CB ' ' A' ' 37' ' ' PHE . 40.3 tt0 -137.05 129.33 29.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.552 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 8.2 p30 -53.77 151.71 11.09 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.621 0.724 . . . . 0.0 110.931 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.8 Cg_endo -69.75 -15.24 12.47 Favored 'Cis proline' 0 C--N 1.341 0.146 0 C-N-CA 122.748 -1.772 . . . . 0.0 112.325 0.01 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.485 ' CB ' ' O ' ' A' ' 34' ' ' GLN . 2.0 t80 -36.84 -47.51 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.477 ' HG3' ' N ' ' A' ' 35' ' ' ASN . 25.8 mtt180 -51.23 -70.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.6 t -48.12 -57.21 6.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -46.68 -50.36 17.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.761 HD23 HD22 ' A' ' 30' ' ' LEU . 10.0 tp -55.78 -48.88 74.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.547 ' HD2' ' CD2' ' A' ' 52' ' ' TYR . 26.0 ttt180 -60.82 -55.36 34.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -40.12 -57.2 1.73 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.464 ' HG2' ' ND1' ' A' ' 93' ' ' HIS . 66.1 mttt -59.55 -43.42 93.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.554 ' HB1' HG21 ' A' ' 28' ' ' VAL . . . -61.32 -32.69 72.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 72.6 mt -70.74 -43.54 68.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.49 ' HB3' HD22 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -51.02 -54.0 28.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.424 HD13 ' CD1' ' A' ' 23' ' ' LEU . 20.6 mt -53.19 -23.19 7.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.75 23.77 7.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.545 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.25 150.33 22.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 111.095 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.27 143.07 26.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.547 ' CD2' ' HD2' ' A' ' 42' ' ' ARG . 5.0 t80 -108.18 114.7 28.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.0 mmp_? -103.13 143.75 27.24 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.625 0.726 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -19.51 35.99 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.639 2.226 . . . . 0.0 112.353 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -159.37 164.34 34.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.635 ' CZ2' HG13 ' A' ' 76' ' ' VAL . 67.0 t-105 -62.2 116.59 5.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.2 t -123.14 172.71 8.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.144 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -64.2 -13.86 51.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.23 -6.39 38.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.836 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.488 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 72.5 m -78.21 118.14 20.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 72.3 p -94.91 -56.3 2.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.135 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.506 ' CE1' HH21 ' A' ' 82' ' ' ARG . 1.0 OUTLIER -112.02 141.06 46.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.614 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.545 HD23 HG23 ' A' ' 83' ' ' ILE . 6.0 tp -107.55 117.89 35.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.945 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.698 HG22 ' CZ ' ' A' ' 33' ' ' PHE . 45.8 mm -81.41 91.06 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.077 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 49.6 t -89.39 127.04 35.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.628 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . . . -75.82 -30.14 58.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -166.07 148.21 7.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.55 -175.02 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 60.01 41.94 16.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -121.15 159.69 48.48 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.558 0.694 . . . . 0.0 111.145 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -32.42 18.81 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.684 2.256 . . . . 0.0 112.378 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -82.68 -28.68 30.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -62.48 -43.61 98.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 m -82.98 -10.49 58.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -79.62 -33.63 41.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.937 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.635 HG13 ' CZ2' ' A' ' 56' ' ' TRP . 39.8 t -93.59 -14.91 8.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.5 ' CA ' HD11 ' A' ' 83' ' ' ILE . 51.0 tp -70.92 -38.71 72.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -79.46 -38.82 20.13 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.456 HD13 ' NE1' ' A' ' 56' ' ' TRP . 39.3 mt -55.47 -49.06 73.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.343 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 129.88 11.15 2.67 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.484 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -81.76 165.26 45.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.494 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.506 HH21 ' CE1' ' A' ' 62' ' ' HIS . 11.4 ttp180 -90.72 113.06 25.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 0.0 110.831 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.545 HG23 HD23 ' A' ' 63' ' ' LEU . 18.6 mt -95.39 115.22 33.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 16.4 m -131.66 159.1 43.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.148 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 -75.1 177.49 6.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.7 pttm -78.83 -31.92 45.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -41.86 -30.44 0.25 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 26.1 t90 -59.39 -47.44 85.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.959 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 80.0 t -71.68 -55.76 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 77.8 mt -44.22 -55.12 5.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.49 ' HB3' HD11 ' A' ' 99' ' ' LEU . 4.4 m-20 -64.41 -45.29 88.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 3.7 m -50.1 -49.03 52.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.469 ' O ' ' N ' ' A' ' 96' ' ' ARG . 21.8 t-80 -72.56 -60.82 2.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.602 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.8 tpt85 -40.88 -38.04 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 4.4 mtm -97.88 -15.22 20.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 93' ' ' HIS . 37.3 mtt180 55.09 45.39 26.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.48 ' CA ' HD13 ' A' ' 22' ' ' ILE . 9.2 ptp180 -145.27 -179.76 6.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 59.8 ttt-85 -99.85 117.52 34.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.49 HD11 ' HB3' ' A' ' 91' ' ' ASP . 74.2 mt -107.11 149.67 38.92 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.652 0.739 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 108.24 2.04 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.682 2.254 . . . . 0.0 112.386 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.4 p -63.44 -15.94 59.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -61.95 -29.75 70.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -77.47 -29.83 52.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -96.66 22.33 8.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.2 mt -69.07 128.19 35.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.3 mmt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.884 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.891 0.377 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.416 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -73.07 -43.56 61.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.941 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.96 -17.06 34.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -86.9 -3.64 59.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.76 0.314 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.408 HD12 HD23 ' A' ' 48' ' ' LEU . 49.5 mt -87.41 -56.88 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 23' ' ' LEU . 16.8 mt -105.56 38.26 2.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -62.22 113.34 2.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.17 29.51 14.7 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 27' ' ' VAL . 95.8 t -120.23 153.07 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.89 0.376 . . . . 0.0 111.108 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.419 ' N ' HG12 ' A' ' 26' ' ' VAL . 48.0 t -132.33 127.87 57.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.076 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.4 m -117.78 153.93 19.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 63.1 t -125.73 129.91 72.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.758 HD12 ' CE1' ' A' ' 52' ' ' TYR . 82.6 mt -84.09 128.67 34.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 82.5 p -147.87 126.84 12.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 73.39 42.91 39.97 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.619 ' CE1' ' HB2' ' A' ' 66' ' ' ALA . 41.3 m-85 -128.48 152.62 48.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.331 . . . . 0.0 110.881 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -139.78 142.82 36.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.941 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.507 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.4 OUTLIER -66.08 160.48 63.48 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.603 0.716 . . . . 0.0 110.911 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.8 Cg_endo -69.77 -33.43 3.42 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.385 -0.055 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.675 ' CZ ' HD12 ' A' ' 41' ' ' LEU . 75.4 t80 -35.37 -53.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 37' ' ' PHE . 10.0 ttt180 -36.77 -50.12 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.2 m -72.94 -36.91 67.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 37' ' ' PHE . 40.9 tt0 -54.48 -51.77 64.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.675 HD12 ' CZ ' ' A' ' 37' ' ' PHE . 1.7 tt -60.66 -60.78 3.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.624 ' HB2' HD11 ' A' ' 30' ' ' LEU . 19.3 ttt-85 -39.8 -59.12 1.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.402 ' HA ' HD12 ' A' ' 46' ' ' LEU . 38.4 t0 -47.24 -49.92 22.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -60.09 -47.93 83.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.67 -38.09 74.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.072 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 43' ' ' ASP . 71.0 mt -62.83 -45.22 93.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -48.26 -54.19 14.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.408 HD23 HD12 ' A' ' 22' ' ' ILE . 24.2 mt -50.72 -18.51 0.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 100.84 20.35 14.67 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.443 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.18 144.51 26.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 0.0 111.105 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -85.15 139.7 31.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.758 ' CE1' HD12 ' A' ' 30' ' ' LEU . 6.2 t80 -101.19 118.23 36.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -108.17 143.85 28.23 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.614 0.721 . . . . 0.0 110.843 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -11.47 30.91 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.654 2.236 . . . . 0.0 112.323 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -168.13 172.6 8.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.571 ' CE2' HG13 ' A' ' 76' ' ' VAL . 67.8 t-105 -67.08 113.05 4.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.419 ' OG1' ' N ' ' A' ' 58' ' ' ARG . 0.1 OUTLIER -117.44 169.73 9.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.159 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.419 ' N ' ' OG1' ' A' ' 57' ' ' THR . 47.8 mmm-85 -66.47 -16.44 64.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -92.46 -3.22 55.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.6 m -83.44 128.24 34.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.839 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 81.1 p -104.38 -34.56 8.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.14 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 44.4 m80 -130.26 152.72 49.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.554 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.528 HD12 ' N ' ' A' ' 64' ' ' ILE . 3.4 tp -121.07 137.46 54.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.528 ' N ' HD12 ' A' ' 63' ' ' LEU . 22.1 mm -104.38 95.78 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.0 t -100.58 131.67 46.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.619 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . . . -68.0 -33.33 74.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.103 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -166.77 160.62 14.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.66 -178.5 2.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.117 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 63.44 42.23 6.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.2 p -122.02 158.72 54.29 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.555 0.693 . . . . 0.0 111.162 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -19.29 36.0 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.689 2.259 . . . . 0.0 112.359 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -95.28 -21.34 18.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -76.12 -42.8 45.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.1 t -79.07 -22.18 45.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -73.36 -49.13 28.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.571 HG13 ' CE2' ' A' ' 56' ' ' TRP . 43.2 t -78.39 -14.85 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.56 ' CA ' HD11 ' A' ' 83' ' ' ILE . 26.4 tp -73.89 -33.38 64.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -81.31 -29.26 41.23 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.47 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 76' ' ' VAL . 41.4 mt -65.73 -47.43 75.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.824 0.345 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 122.41 17.96 3.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -82.89 169.77 48.91 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.529 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.52 ' NE ' HD21 ' A' ' 105' ' ' LEU . 3.3 tpm_? -88.47 99.24 12.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.781 0.324 . . . . 0.0 110.885 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.56 HD11 ' CA ' ' A' ' 77' ' ' LEU . 27.4 mt -87.5 120.05 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.439 HG11 ' HB2' ' A' ' 101' ' ' SER . 7.9 m -136.25 149.75 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.104 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 31.7 mtt-85 -59.2 -176.91 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.561 ' HB2' HD11 ' A' ' 41' ' ' LEU . 14.4 pttp -89.06 -9.06 52.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 88' ' ' TRP . 55.7 mm-40 -68.24 -42.83 79.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.424 ' C ' ' O ' ' A' ' 87' ' ' GLU . 34.6 t90 -36.25 -71.24 0.07 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.753 HG13 ' H ' ' A' ' 90' ' ' LEU . 1.3 p -47.51 -65.81 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.753 ' H ' HG13 ' A' ' 89' ' ' VAL . 90.5 mt -35.1 -59.4 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -52.99 -43.33 66.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 89' ' ' VAL . 71.9 m -58.57 -42.72 88.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -71.46 -38.04 71.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.546 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -59.48 -52.7 64.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 21.7 mtm -89.85 -4.09 57.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 46.77 44.61 14.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -147.19 156.47 42.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -69.51 113.16 6.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 65.1 mt -105.05 150.21 38.49 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.59 0.71 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 121.05 7.73 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.659 2.239 . . . . 0.0 112.331 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.439 ' HB2' HG11 ' A' ' 84' ' ' VAL . 92.2 p -80.16 -12.21 59.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -63.75 -28.18 69.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 66.2 mtt85 -82.26 -18.11 43.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -99.88 3.4 44.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.93 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.52 HD21 ' NE ' ' A' ' 82' ' ' ARG . 13.7 mt -50.26 131.09 23.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.5 mmt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.799 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.89 0.376 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.704 HD22 ' HB3' ' A' ' 47' ' ' GLU . 7.1 mp -81.89 -30.98 31.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.04 -7.75 14.15 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm -103.37 5.24 37.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.789 0.328 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.1 mt -90.79 -58.46 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 28.5 mt -107.95 43.55 1.2 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.7 tp60 -70.34 113.26 7.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.08 26.11 13.12 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.0 t -117.47 147.69 20.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.914 0.388 . . . . 0.0 111.112 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.647 HG11 ' OD1' ' A' ' 59' ' ' ASP . 90.9 t -124.54 108.34 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.4 m -103.23 153.3 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.4 t -130.44 127.67 62.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.645 HD22 HD23 ' A' ' 41' ' ' LEU . 57.3 mt -82.13 126.48 32.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.959 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.6 p -151.42 124.64 8.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.12 28.26 18.37 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.493 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -121.66 161.74 21.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.766 0.317 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -135.72 121.28 19.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.522 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 1.3 p-10 -50.62 154.16 2.44 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.573 0.702 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.4 Cg_endo -69.85 -15.01 12.69 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.355 -0.02 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 36' ' ' PRO . 3.5 t80 -36.08 -63.37 0.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.45 ' CG ' ' N ' ' A' ' 39' ' ' SER . 16.8 ptt180 -45.0 -45.26 10.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.45 ' N ' ' CG ' ' A' ' 38' ' ' ARG . 1.8 t -61.3 -57.52 12.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -52.24 -55.68 19.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.645 HD23 HD22 ' A' ' 30' ' ' LEU . 37.8 tp -50.11 -37.11 32.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.439 ' HB2' HD11 ' A' ' 30' ' ' LEU . 21.3 ttm180 -68.61 -49.58 58.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -46.69 -48.02 20.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -67.18 -43.23 82.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.11 -32.04 53.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 26.4 mt -76.28 -45.99 29.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.704 ' HB3' HD22 ' A' ' 19' ' ' LEU . 1.4 mp0 -48.64 -40.56 28.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.0 mt -67.78 -24.52 65.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.99 15.02 17.43 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.53 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.24 151.57 20.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 111.106 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.3 mttp -89.84 142.61 27.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.926 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -110.3 119.92 40.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.606 ' HD3' HG21 ' A' ' 57' ' ' THR . 4.1 mmp_? -117.94 144.05 33.86 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.624 0.726 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -25.82 28.21 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.658 2.239 . . . . 0.0 112.337 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.407 ' CG ' ' N ' ' A' ' 56' ' ' TRP . 3.2 t70 -144.79 163.04 35.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.856 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.546 ' CZ3' ' HB3' ' A' ' 60' ' ' SER . 69.0 t-105 -54.54 109.96 0.57 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.606 HG21 ' HD3' ' A' ' 53' ' ' ARG . 69.2 p -97.67 160.58 14.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.143 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.7 tpt85 -65.62 -18.89 65.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.647 ' OD1' HG11 ' A' ' 27' ' ' VAL . 2.0 p30 -93.84 -2.05 54.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.546 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 67.1 m -60.96 122.15 14.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.458 ' HB ' ' CE1' ' A' ' 62' ' ' HIS . 33.2 p -104.45 -31.4 9.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.458 ' CE1' ' HB ' ' A' ' 61' ' ' THR . 3.7 m80 -144.14 136.05 26.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.591 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.63 HD22 HG21 ' A' ' 76' ' ' VAL . 11.5 tp -104.4 130.45 52.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.949 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.6 mm -96.77 91.38 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 22.7 t -90.26 158.98 16.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.95 -38.07 8.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.13 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -157.38 145.51 19.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.64 -179.47 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 63.54 35.17 12.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.37 158.98 34.66 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.597 0.713 . . . . 0.0 111.147 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -31.21 20.96 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.663 2.242 . . . . 0.0 112.331 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -82.86 -26.24 31.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.582 ' CD1' HG21 ' A' ' 83' ' ' ILE . 75.4 t80 -63.19 -58.58 6.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 27.5 t -59.66 -34.54 72.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.835 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -56.91 -52.24 65.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.63 HG21 HD22 ' A' ' 63' ' ' LEU . 40.2 t -77.19 -14.98 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.176 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.523 HD12 ' CE2' ' A' ' 73' ' ' TYR . 1.5 tt -70.99 -52.49 19.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.939 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.38 -37.89 80.1 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.516 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 32.1 mt -56.4 -51.07 69.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 0.0 110.936 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 129.37 12.25 2.58 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.498 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -74.95 160.97 53.14 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -89.18 99.07 12.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.739 0.304 . . . . 0.0 110.9 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.582 HG21 ' CD1' ' A' ' 73' ' ' TYR . 11.1 mt -87.0 123.67 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.4 m -139.42 172.01 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.446 ' CZ ' ' HB3' ' A' ' 85' ' ' ARG . 2.7 mmm180 -75.15 175.74 7.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -84.27 -32.03 24.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -44.55 -30.7 0.94 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.445 ' CE2' ' OG ' ' A' ' 101' ' ' SER . 24.0 t90 -49.08 -58.65 4.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 42.7 t -62.05 -57.68 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 33.1 mt -45.21 -69.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -50.19 -43.72 52.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 2.3 m -55.06 -44.43 74.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 96' ' ' ARG . 22.6 t60 -74.45 -62.11 1.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.602 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -40.62 -35.39 0.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 7.4 mtm -101.93 -15.74 16.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 93' ' ' HIS . 13.0 mtm-85 55.64 44.28 26.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -139.72 170.05 16.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 25.9 ttt-85 -94.31 103.52 15.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 43.9 mt -90.69 148.26 38.11 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.605 0.717 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 104.78 1.37 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.693 2.262 . . . . 0.0 112.343 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.445 ' OG ' ' CE2' ' A' ' 88' ' ' TRP . 60.0 m -64.16 -15.41 59.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -66.51 -11.48 52.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -94.86 -15.11 23.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -107.0 0.8 23.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 23.2 mt -49.21 114.84 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 28.5 mtp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.83 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.853 0.359 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.526 HD13 ' CD1' ' A' ' 22' ' ' ILE . 4.6 mm? -59.7 -46.94 87.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.55 -14.92 51.92 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.506 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -92.83 8.97 37.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.756 0.312 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.526 ' CD1' HD13 ' A' ' 19' ' ' LEU . 46.8 mt -91.59 -56.91 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.0 mt -108.07 34.37 3.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -60.4 110.86 1.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.941 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.48 23.9 15.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.511 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 27' ' ' VAL . 57.7 t -119.49 152.85 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.37 . . . . 0.0 111.133 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.483 HG22 ' HE2' ' A' ' 51' ' ' LYS . 14.3 t -130.97 127.3 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.1 m -118.91 165.23 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 75.2 t -138.51 136.74 43.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.537 HD11 ' HB2' ' A' ' 42' ' ' ARG . 95.0 mt -88.98 117.41 27.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.3 t -131.2 108.41 9.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.82 49.75 3.5 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.493 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.653 ' CZ ' ' CD2' ' A' ' 41' ' ' LEU . 58.8 m-85 -129.17 156.55 43.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.77 0.319 . . . . 0.0 110.892 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -142.37 134.69 27.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.537 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 1.2 p30 -62.08 154.18 70.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.621 0.724 . . . . 0.0 110.855 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 54.3 Cg_endo -69.75 -29.42 5.71 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.733 -1.778 . . . . 0.0 112.346 -0.096 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.44 ' C ' ' O ' ' A' ' 36' ' ' PRO . 9.2 t80 -35.27 -58.41 0.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.5 ttt85 -42.45 -49.51 5.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.6 t -67.26 -60.48 2.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.819 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -43.44 -39.68 3.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.653 ' CD2' ' CZ ' ' A' ' 33' ' ' PHE . 33.8 tp -67.62 -53.24 29.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.537 ' HB2' HD11 ' A' ' 30' ' ' LEU . 24.6 ttt-85 -49.3 -48.64 46.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -49.33 -62.59 1.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.824 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -44.87 -48.77 11.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.408 ' HA ' HD12 ' A' ' 48' ' ' LEU . . . -54.93 -44.52 74.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.122 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 31.9 mt -64.79 -43.65 92.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.46 -44.94 73.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 45' ' ' ALA . 14.4 mt -60.39 -23.37 64.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.94 19.01 9.92 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.28 153.02 18.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.896 0.379 . . . . 0.0 111.101 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.483 ' HE2' HG22 ' A' ' 27' ' ' VAL . 3.1 mppt? -93.17 139.12 30.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -103.49 112.37 25.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.83 ' NH1' HG21 ' A' ' 57' ' ' THR . 18.2 mmt85 -104.3 145.21 30.23 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.597 0.713 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -33.13 17.16 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.351 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -137.44 163.57 30.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.687 ' CE2' HG13 ' A' ' 76' ' ' VAL . 76.1 t-105 -64.99 79.48 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.83 HG21 ' NH1' ' A' ' 53' ' ' ARG . 3.9 t -83.34 158.76 22.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.112 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -54.31 -22.23 11.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -79.41 -23.38 43.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 m -71.14 127.36 32.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 82.8 p -103.45 -47.18 4.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.148 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -109.82 149.98 29.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.588 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.566 ' HB2' ' CZ3' ' A' ' 56' ' ' TRP . 13.9 tp -120.17 116.15 25.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.7 mm -84.38 96.72 4.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 23.8 t -99.16 111.62 23.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.03 -42.25 60.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.088 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -157.61 147.39 20.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.28 -178.6 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.0 m120 69.01 32.68 3.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.7 p -112.14 156.28 42.18 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.594 0.711 . . . . 0.0 111.168 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -17.56 37.87 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.712 2.274 . . . . 0.0 112.377 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.2 mmtm -95.12 -23.25 17.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -72.78 -41.04 65.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.7 t -79.91 -18.35 50.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -79.4 -51.67 9.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.687 HG13 ' CE2' ' A' ' 56' ' ' TRP . 39.3 t -72.48 -14.96 17.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 33.6 tp -71.43 -43.57 66.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -74.32 -36.15 50.89 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.498 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 76' ' ' VAL . 17.9 mt -60.62 -41.5 94.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.812 0.339 . . . . 0.0 110.924 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 116.93 35.49 1.13 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -97.77 160.71 21.02 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.451 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.48 ' NE ' ' HA ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -84.71 99.06 10.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.778 0.323 . . . . 0.0 110.877 -179.864 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.634 HG22 ' SD ' ' A' ' 106' ' ' MET . 47.2 mt -89.36 110.7 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.155 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.434 HG12 ' O ' ' A' ' 104' ' ' TYR . 8.1 m -127.67 152.48 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.472 ' HG3' ' CG ' ' A' ' 106' ' ' MET . 18.1 mtt-85 -73.44 150.73 41.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.3 pttm -50.67 -26.61 5.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -46.52 -44.56 17.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 32.6 t90 -46.9 -47.4 21.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 86.3 t -69.22 -58.9 4.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.7 mt -44.0 -47.28 8.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -67.13 -51.57 52.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 44.8 m -47.07 -51.67 17.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -66.67 -52.14 48.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.571 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.472 ' CZ ' ' CG ' ' A' ' 95' ' ' MET . 3.9 tmm_? -42.91 -57.92 2.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.472 ' CG ' ' CZ ' ' A' ' 94' ' ' ARG . 8.2 mtm -83.23 -11.59 57.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 27.7 mtm-85 55.6 44.59 26.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -149.84 155.67 40.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -69.45 123.49 21.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 62.3 mt -112.99 150.24 42.57 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.641 0.734 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 111.7 2.88 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.635 2.223 . . . . 0.0 112.397 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 80.4 p -61.81 -28.72 69.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -50.35 -34.1 22.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 -76.41 -24.87 54.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.434 ' O ' HG12 ' A' ' 84' ' ' VAL . 33.8 m-85 -107.5 32.73 4.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.8 mt -82.01 126.97 32.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.634 ' SD ' HG22 ' A' ' 83' ' ' ILE . 19.2 mtp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.923 0.392 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.67 HD13 HD12 ' A' ' 22' ' ' ILE . 4.4 mm? -84.17 -41.85 16.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.82 -19.01 34.71 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.513 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -89.66 4.77 48.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.748 0.309 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.67 HD12 HD13 ' A' ' 19' ' ' LEU . 54.2 mt -93.39 -58.09 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.142 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.2 mt -110.88 41.94 1.71 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.954 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -68.08 105.02 1.92 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.956 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.6 29.89 5.15 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 99.8 t -125.48 147.85 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.891 0.377 . . . . 0.0 111.116 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.899 HG22 ' HB3' ' A' ' 51' ' ' LYS . 96.6 t -128.61 115.09 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.478 ' CG1' HD11 ' A' ' 64' ' ' ILE . 16.5 m -103.59 163.99 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.7 t -139.54 131.47 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.646 HD22 HD23 ' A' ' 41' ' ' LEU . 66.5 mt -87.33 117.37 26.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.1 t -143.06 112.38 6.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.85 34.86 6.05 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.424 ' CE1' ' HB2' ' A' ' 66' ' ' ALA . 28.8 m-85 -126.53 153.52 45.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.341 . . . . 0.0 110.863 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -119.02 151.52 38.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.493 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.4 OUTLIER -88.75 162.85 37.45 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.595 0.712 . . . . 0.0 110.903 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.513 ' O ' ' C ' ' A' ' 37' ' ' PHE . 53.4 Cg_endo -69.76 -26.62 7.29 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.307 -0.06 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.513 ' C ' ' O ' ' A' ' 36' ' ' PRO . 7.5 t80 -29.17 -50.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 -49.15 -59.46 3.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.7 p -55.47 -37.6 67.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -61.98 -43.05 99.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.895 HD11 HG11 ' A' ' 89' ' ' VAL . 15.7 tp -60.86 -51.16 70.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -47.08 -51.74 16.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -49.36 -54.21 18.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 54.4 mttt -56.13 -42.75 77.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.496 ' HB2' HG21 ' A' ' 89' ' ' VAL . . . -65.41 -35.83 82.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 87.9 mt -66.18 -45.83 79.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.448 ' C ' ' HB3' ' A' ' 19' ' ' LEU . 3.4 mm-40 -49.59 -54.18 19.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.931 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 45' ' ' ALA . 5.7 mt -53.19 -15.26 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 97.27 12.88 47.28 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.495 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.76 157.14 24.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 111.107 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.899 ' HB3' HG22 ' A' ' 27' ' ' VAL . 13.8 tppt? -91.1 155.3 18.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.452 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 6.6 t80 -122.36 117.07 25.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -120.03 143.29 35.08 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.644 0.735 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -23.2 31.2 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.742 2.294 . . . . 0.0 112.35 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -150.35 158.29 43.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.639 ' CE2' HG13 ' A' ' 76' ' ' VAL . 67.5 t-105 -60.65 120.49 10.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.434 HG23 ' H ' ' A' ' 59' ' ' ASP . 5.0 t -125.68 179.63 5.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.422 ' N ' ' OG1' ' A' ' 57' ' ' THR . 37.5 ttt85 -65.81 -15.48 62.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.434 ' H ' HG23 ' A' ' 57' ' ' THR . 9.5 t0 -91.56 -16.73 26.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.548 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 3.4 m -71.03 120.51 16.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 80.7 p -101.62 -39.08 7.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 28.3 m80 -129.81 140.92 50.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.613 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.766 HD22 HG21 ' A' ' 76' ' ' VAL . 10.6 tp -107.79 120.91 43.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.515 HG21 HD21 ' A' ' 41' ' ' LEU . 9.3 mm -81.29 90.37 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 43.3 t -94.81 161.18 14.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.424 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . . . -101.05 -38.03 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -160.67 153.9 21.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.86 -177.42 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.074 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 59.79 41.84 17.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.1 p -118.26 158.64 46.04 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.586 0.708 . . . . 0.0 111.124 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -29.66 23.55 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.658 2.239 . . . . 0.0 112.34 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.424 ' O ' HG23 ' A' ' 76' ' ' VAL . 24.8 tptt -86.02 -28.21 24.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.719 ' CD2' HG21 ' A' ' 83' ' ' ILE . 16.3 t80 -61.4 -58.87 6.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.3 t -56.96 -50.04 73.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -47.89 -64.5 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.766 HG21 HD22 ' A' ' 63' ' ' LEU . 40.1 t -59.63 -14.92 7.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.619 HD12 ' CE1' ' A' ' 73' ' ' TYR . 3.7 tt -76.51 -56.82 4.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.34 -35.32 90.06 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.523 HD13 ' CD1' ' A' ' 56' ' ' TRP . 25.9 mt -55.93 -39.21 71.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.822 0.344 . . . . 0.0 110.897 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 115.94 36.21 1.17 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.86 172.37 15.79 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.464 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 13.7 ttm-85 -98.06 101.23 12.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 0.0 110.884 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.719 HG21 ' CD2' ' A' ' 73' ' ' TYR . 21.6 mt -82.61 114.21 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.846 HG12 ' HA ' ' A' ' 105' ' ' LEU . 12.5 m -125.19 168.09 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.447 ' HD2' ' CG ' ' A' ' 106' ' ' MET . 0.4 OUTLIER -81.8 175.63 10.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.435 ' HD2' HD11 ' A' ' 90' ' ' LEU . 16.9 pttp -80.5 -12.45 59.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -70.25 -34.3 72.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 46.0 t90 -49.55 -70.93 0.07 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.895 HG11 HD11 ' A' ' 41' ' ' LEU . 9.3 p -58.11 -50.46 78.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.157 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.63 ' N ' HG13 ' A' ' 89' ' ' VAL . 56.6 mt -47.7 -42.73 25.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -73.83 -56.71 4.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.835 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 13.8 m -38.29 -41.27 0.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -73.52 -57.02 4.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.621 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -42.45 -53.26 4.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 6.7 mtt -83.66 -19.58 35.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 33.1 mtm180 61.54 42.35 11.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 97' ' ' ARG . 3.0 ptp180 -142.13 165.11 28.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -85.12 120.33 26.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 46.3 mt -112.18 152.35 44.34 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.632 0.73 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 99.23 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.705 2.27 . . . . 0.0 112.337 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 105' ' ' LEU . 20.2 p -49.94 -29.63 8.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.778 ' HA ' HD23 ' A' ' 105' ' ' LEU . 15.1 tm0? -52.91 -43.06 65.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 40.0 mtp180 -72.81 -7.53 51.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -120.78 -4.9 9.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.846 ' HA ' HG12 ' A' ' 84' ' ' VAL . 0.3 OUTLIER -89.11 126.47 35.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.447 ' CG ' ' HD2' ' A' ' 85' ' ' ARG . 23.3 mtm . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.856 0.36 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.775 HD12 HD23 ' A' ' 48' ' ' LEU . 4.4 mm? -75.89 -43.21 46.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.65 -20.8 53.29 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -84.17 0.85 47.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.776 0.322 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.544 HD12 HD13 ' A' ' 19' ' ' LEU . 59.1 mt -88.56 -57.31 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.7 mt -111.28 42.92 1.57 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.6 tp60 -63.76 118.15 7.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.62 34.44 16.15 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.532 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.6 t -123.65 147.33 28.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.348 . . . . 0.0 111.14 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.0 t -124.62 118.79 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.589 HG21 ' HB1' ' A' ' 45' ' ' ALA . 4.3 m -108.61 139.63 30.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.5 t -116.14 123.27 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.107 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.488 HD22 HD23 ' A' ' 41' ' ' LEU . 84.4 mt -83.33 129.6 35.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.2 m -153.7 105.7 2.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.48 33.24 3.42 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.539 ' CZ ' ' CD2' ' A' ' 41' ' ' LEU . 72.4 m-85 -123.0 154.76 38.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.796 0.331 . . . . 0.0 110.851 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -136.77 121.01 17.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.949 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.539 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 1.4 p-10 -50.75 154.23 2.49 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.659 0.743 . . . . 0.0 110.847 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.9 Cg_endo -69.75 -25.35 8.07 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.328 -0.095 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' PRO . 20.7 t80 -37.97 -53.44 1.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.3 ttt85 -50.05 -61.38 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.9 p -54.35 -56.7 15.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -46.99 -38.55 10.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.539 ' CD2' ' CZ ' ' A' ' 33' ' ' PHE . 34.4 tp -66.59 -44.98 80.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -53.07 -60.9 2.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.598 ' HA ' HD12 ' A' ' 46' ' ' LEU . 2.7 t70 -40.89 -58.0 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -50.19 -46.6 54.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.589 ' HB1' HG21 ' A' ' 28' ' ' VAL . . . -60.14 -33.35 72.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.121 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.598 HD12 ' HA ' ' A' ' 43' ' ' ASP . 45.4 mt -68.84 -45.15 71.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.422 ' C ' ' HB3' ' A' ' 19' ' ' LEU . 6.1 mm-40 -50.66 -53.8 28.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.775 HD23 HD12 ' A' ' 19' ' ' LEU . 28.9 mt -53.64 -18.49 3.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.65 19.35 22.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.507 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.5 143.17 27.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.87 0.367 . . . . 0.0 111.123 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.87 133.24 33.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.403 ' CE1' HD12 ' A' ' 30' ' ' LEU . 3.7 t80 -99.51 115.75 30.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -108.44 143.97 28.56 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.621 0.724 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -22.43 31.97 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.694 2.263 . . . . 0.0 112.332 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -153.47 158.81 41.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.503 ' CZ2' HG13 ' A' ' 76' ' ' VAL . 64.2 t-105 -60.32 131.47 50.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.6 t -137.08 172.69 12.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 -65.24 -11.03 36.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -96.06 -14.22 23.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.2 m -72.78 131.58 42.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 38.1 p -107.29 -45.85 4.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.18 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.417 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 38.7 m80 -120.89 165.22 15.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.608 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.606 HD23 HG23 ' A' ' 83' ' ' ILE . 7.2 tp -131.23 129.62 41.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.96 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 22.1 mm -96.55 90.87 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 34.2 t -93.28 140.87 29.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.83 -35.35 32.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -162.0 155.06 20.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.36 -179.34 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 65.15 33.91 9.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.94 158.51 33.35 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.624 0.726 . . . . 0.0 111.129 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -24.59 29.59 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.662 2.241 . . . . 0.0 112.35 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -90.06 -21.94 22.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -67.81 -39.22 83.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.5 m -82.96 -11.82 57.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 16.5 tp60 -85.16 -50.1 7.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.503 HG13 ' CZ2' ' A' ' 56' ' ' TRP . 40.1 t -75.6 -14.96 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.524 ' CA ' HD11 ' A' ' 83' ' ' ILE . 50.5 tp -72.82 -49.93 27.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.9 -41.05 95.65 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.409 HD13 ' CD1' ' A' ' 56' ' ' TRP . 23.0 mt -55.65 -47.62 76.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.825 0.345 . . . . 0.0 110.914 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 120.74 24.48 2.56 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.457 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -88.96 159.11 28.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.459 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.793 ' HD2' HD21 ' A' ' 105' ' ' LEU . 21.2 tpp180 -79.52 100.07 7.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.788 0.327 . . . . 0.0 110.889 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.606 HG23 HD23 ' A' ' 63' ' ' LEU . 23.0 mt -88.34 114.21 26.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.116 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 11.7 m -130.25 162.76 37.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.112 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -76.99 -176.57 4.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -83.01 -35.59 25.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -43.48 -24.39 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.449 ' CE2' ' HB3' ' A' ' 101' ' ' SER . 23.5 t90 -60.82 -53.22 60.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 82.1 t -66.17 -54.46 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.157 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 48.2 mt -47.49 -55.85 8.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -58.39 -45.7 87.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.483 ' O ' ' N ' ' A' ' 96' ' ' ARG . 9.6 m -54.95 -60.15 3.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -56.49 -53.68 54.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.614 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -44.53 -59.09 2.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.402 ' CB ' ' HG2' ' A' ' 97' ' ' ARG . 26.4 mtm -83.44 -1.7 54.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 92' ' ' CYS . 90.6 mtt180 44.62 44.81 7.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.402 ' HG2' ' CB ' ' A' ' 95' ' ' MET . 13.8 ptp180 -141.53 157.52 45.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 43.3 ttt85 -79.78 107.27 12.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 50.5 mt -97.1 151.57 37.79 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.654 0.74 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 107.99 1.98 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.681 2.254 . . . . 0.0 112.342 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.449 ' HB3' ' CE2' ' A' ' 88' ' ' TRP . 70.4 p -67.98 -10.49 53.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -69.94 -28.14 65.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -81.08 -2.82 49.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -119.76 21.04 12.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.793 HD21 ' HD2' ' A' ' 82' ' ' ARG . 24.6 mt -71.27 132.74 45.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.949 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.3 mtt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.831 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.916 0.389 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.472 HD13 ' CD1' ' A' ' 22' ' ' ILE . 4.6 mm? -74.54 -44.75 49.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.16 -18.51 35.06 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.451 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -86.54 1.37 51.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.724 0.297 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.472 ' CD1' HD13 ' A' ' 19' ' ' LEU . 59.2 mt -90.31 -58.37 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.415 ' CD1' HD13 ' A' ' 48' ' ' LEU . 16.7 mt -106.28 39.72 1.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.6 tp60 -64.59 110.52 2.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.81 31.08 7.96 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.52 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.406 HG21 HD22 ' A' ' 23' ' ' LEU . 85.8 t -121.89 145.64 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.874 0.369 . . . . 0.0 111.084 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.2 t -126.57 114.42 37.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.4 m -109.03 153.69 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.434 HG22 ' HB2' ' A' ' 53' ' ' ARG . 55.2 t -128.32 132.22 68.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.109 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 58.8 mt -83.41 126.15 32.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.6 p -146.8 110.16 4.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.56 42.15 5.22 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.433 ' CZ ' HG22 ' A' ' 64' ' ' ILE . 63.2 m-85 -129.31 156.94 43.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.877 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -142.88 134.07 25.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.531 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -57.44 153.97 25.73 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.636 0.731 . . . . 0.0 110.859 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.8 Cg_endo -69.76 -30.99 4.83 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.33 -0.053 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.449 ' C ' ' O ' ' A' ' 36' ' ' PRO . 15.3 t80 -34.5 -59.34 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -47.12 -48.76 22.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.0 m -63.85 -58.4 6.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -46.75 -56.64 5.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.92 HD11 HG11 ' A' ' 89' ' ' VAL . 20.0 tp -44.7 -55.74 5.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.56 ' HD3' ' CD2' ' A' ' 52' ' ' TYR . 13.9 ttm105 -51.5 -50.79 59.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.8 -52.04 35.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.46 ' HG2' ' ND1' ' A' ' 93' ' ' HIS . 62.6 mttt -60.86 -43.71 98.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.51 -39.91 85.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 68.2 mt -61.77 -48.51 80.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.443 ' C ' ' HB3' ' A' ' 19' ' ' LEU . 4.0 mm-40 -48.18 -52.28 21.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.456 HD23 HD12 ' A' ' 22' ' ' ILE . 35.2 mt -50.48 -24.29 3.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.34 20.78 10.6 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.549 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.41 153.07 18.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.348 . . . . 0.0 111.134 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.415 ' N ' ' HD3' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -91.6 141.74 28.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.56 ' CD2' ' HD3' ' A' ' 42' ' ' ARG . 3.4 t80 -106.98 125.47 51.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.955 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.529 ' HD2' HG21 ' A' ' 57' ' ' THR . 30.8 mmt180 -121.64 144.25 40.08 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.622 0.725 . . . . 0.0 110.829 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -37.83 8.58 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.675 2.25 . . . . 0.0 112.336 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -134.81 156.45 48.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.818 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.554 ' CZ3' ' HB3' ' A' ' 60' ' ' SER . 29.1 t-105 -46.84 125.88 7.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.529 HG21 ' HD2' ' A' ' 53' ' ' ARG . 25.2 p -117.8 166.99 11.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.144 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -70.1 -12.41 61.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.58 -2.14 31.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.554 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 2.3 m -66.92 118.43 10.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 71.3 p -97.97 -45.92 6.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -124.74 144.16 50.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.552 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.586 HD22 HG21 ' A' ' 76' ' ' VAL . 20.9 tp -112.16 116.84 31.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.433 HG22 ' CZ ' ' A' ' 33' ' ' PHE . 25.6 mm -83.87 92.53 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.17 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 47.8 t -96.98 133.71 41.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.18 -40.54 74.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -157.72 149.34 21.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.93 -179.18 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 64.3 45.92 3.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -121.65 158.85 53.0 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.539 0.685 . . . . 0.0 111.171 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -20.01 35.3 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.645 2.23 . . . . 0.0 112.346 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.419 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.2 tppp? -91.95 -33.68 14.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 73' ' ' TYR . 0.4 OUTLIER -62.84 -40.06 96.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.1 t -74.62 -35.02 62.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.817 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -65.94 -45.01 83.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.586 HG21 HD22 ' A' ' 63' ' ' LEU . 39.6 t -78.46 -15.04 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.576 ' CA ' HD11 ' A' ' 83' ' ' ILE . 49.6 tp -74.93 -40.49 60.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -75.09 -40.39 34.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.0 mt -55.9 -52.72 63.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 128.42 27.39 0.9 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.485 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -90.64 160.08 27.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.493 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.476 ' HA ' ' CZ ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -80.6 98.63 7.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.763 0.316 . . . . 0.0 110.82 -179.839 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.576 HD11 ' CA ' ' A' ' 77' ' ' LEU . 43.1 mt -85.46 108.96 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.084 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.793 HG11 ' OG ' ' A' ' 101' ' ' SER . 16.0 m -125.55 159.82 32.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 -73.36 -176.24 2.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.413 ' HA ' HG23 ' A' ' 64' ' ' ILE . 19.9 pttm -85.11 -33.55 22.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -47.05 -30.71 2.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 42.4 t90 -53.17 -69.1 0.12 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.95 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.92 HG11 HD11 ' A' ' 41' ' ' LEU . 9.0 p -61.92 -51.41 72.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.101 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.638 ' N ' HG13 ' A' ' 89' ' ' VAL . 57.7 mt -44.95 -49.76 10.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -71.92 -49.2 39.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.814 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 19.5 m -41.97 -44.49 3.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.46 ' ND1' ' HG2' ' A' ' 44' ' ' LYS . 48.5 t-80 -69.25 -60.99 1.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.602 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.2 tpm_? -39.95 -60.52 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 7.0 mtm -74.13 -13.8 60.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 93' ' ' HIS . 59.3 mtt85 55.28 42.27 30.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -141.94 165.77 26.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 58.5 ttt-85 -90.22 111.65 22.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 64.9 mt -97.32 147.94 33.7 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.65 0.738 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 117.71 5.24 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.717 2.278 . . . . 0.0 112.361 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.793 ' OG ' HG11 ' A' ' 84' ' ' VAL . 5.1 t -63.61 -28.89 70.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -52.07 -26.66 11.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 19.2 mtt-85 -81.57 -27.26 34.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -106.81 34.75 3.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.2 mt -81.13 116.47 21.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.9 mtp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.889 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.4 t -146.39 132.2 19.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 110.88 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.9 p -87.75 147.19 25.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.73 107.08 3.13 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -146.59 113.45 6.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.882 0.372 . . . . 0.0 110.86 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.0 t -155.6 145.16 21.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.817 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.65 104.61 0.2 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.48 ' CG ' ' HD2' ' A' ' 9' ' ' PRO . 10.3 tt0 -167.47 140.53 2.81 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.652 0.739 . . . . 0.0 110.88 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.48 ' HD2' ' CG ' ' A' ' 8' ' ' GLU . 53.5 Cg_endo -69.75 120.68 7.43 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.638 2.225 . . . . 0.0 112.351 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -102.52 164.22 11.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.25 157.13 24.75 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.619 0.723 . . . . 0.0 110.85 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -32.6 18.37 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.702 2.268 . . . . 0.0 112.349 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -45.88 164.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.65 86.8 2.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.38 -158.7 0.44 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 0.58 5.42 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.712 2.274 . . . . 0.0 112.33 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -69.57 -45.9 67.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -68.96 -42.14 77.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.54 HD22 ' HB3' ' A' ' 47' ' ' GLU . 4.9 mp -67.56 -40.12 84.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.83 -18.14 38.26 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.437 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.2 mmtt -90.17 0.03 57.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.777 0.323 . . . . 0.0 110.944 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.8 mt -83.84 -56.23 5.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 28.3 mt -105.31 33.37 3.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -61.81 108.56 1.03 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.52 21.68 12.47 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.46 HG12 ' N ' ' A' ' 27' ' ' VAL . 78.9 t -118.68 155.51 20.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.868 0.366 . . . . 0.0 111.091 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.572 HG13 ' HB2' ' A' ' 51' ' ' LYS . 7.2 t -131.77 114.71 25.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.639 HG21 ' HB1' ' A' ' 45' ' ' ALA . 4.3 m -104.37 142.14 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.4 t -118.69 126.93 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.556 HD12 ' CE1' ' A' ' 52' ' ' TYR . 68.5 mt -83.3 127.45 33.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.0 m -141.08 124.17 16.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.26 46.32 34.96 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -128.33 140.0 52.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.89 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -130.21 132.14 45.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.508 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -57.48 160.67 6.92 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.589 0.709 . . . . 0.0 110.912 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.8 Cg_endo -69.75 -17.24 12.02 Favored 'Cis proline' 0 C--O 1.231 0.169 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.35 -0.059 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -50.23 -50.7 48.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -51.15 -43.97 61.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.7 m -67.64 -51.39 50.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -54.12 -49.75 68.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.482 HD23 HD22 ' A' ' 30' ' ' LEU . 34.0 tp -55.86 -51.57 67.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -50.84 -61.63 2.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -41.19 -61.49 1.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -45.27 -48.55 12.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.639 ' HB1' HG21 ' A' ' 28' ' ' VAL . . . -56.8 -37.85 71.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 68.2 mt -66.47 -43.94 84.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.54 ' HB3' HD22 ' A' ' 19' ' ' LEU . 3.4 mp0 -52.53 -52.57 54.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.9 mt -53.88 -19.34 4.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.48 22.45 19.01 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.501 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.5 150.66 20.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.887 0.375 . . . . 0.0 111.087 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.572 ' HB2' HG13 ' A' ' 27' ' ' VAL . 33.0 mtmt -85.39 132.83 34.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.556 ' CE1' HD12 ' A' ' 30' ' ' LEU . 3.6 t80 -106.11 112.32 25.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 -106.65 143.88 27.91 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.599 0.714 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -9.74 26.85 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.4 ' CG ' ' N ' ' A' ' 56' ' ' TRP . 2.0 t70 -163.62 163.84 24.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.621 ' CZ2' HG13 ' A' ' 76' ' ' VAL . 64.9 t-105 -56.44 121.4 9.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.7 p -114.73 162.14 17.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.192 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -65.25 -15.8 62.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.827 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -97.88 -3.73 38.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.5 m -65.92 127.3 31.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 48.8 p -103.96 -35.2 8.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 59.5 m80 -134.12 149.64 51.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.6 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.58 HD22 HG21 ' A' ' 76' ' ' VAL . 18.9 tp -118.52 127.55 53.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 25.9 mm -94.5 105.4 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 42.4 t -104.76 145.04 30.91 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.34 -26.51 19.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.089 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -168.59 147.45 4.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.44 -177.04 0.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 43.6 m-20 62.83 34.36 14.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -110.84 159.66 31.64 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.591 0.71 . . . . 0.0 111.128 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -39.72 6.17 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.715 2.277 . . . . 0.0 112.322 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -76.2 -10.66 59.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.448 ' CZ ' HD12 ' A' ' 77' ' ' LEU . 19.1 t80 -75.53 -57.51 3.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.0 t -63.81 -36.27 83.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.849 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -54.4 -60.01 3.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.621 HG13 ' CZ2' ' A' ' 56' ' ' TRP . 39.6 t -69.58 -14.99 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.121 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.448 HD12 ' CZ ' ' A' ' 73' ' ' TYR . 6.3 tt -71.8 -50.65 27.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.83 -32.95 78.71 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.674 -0.775 . . . . 0.0 112.506 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.569 HD12 ' HA ' ' A' ' 76' ' ' VAL . 39.7 mt -61.36 -47.88 83.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.832 0.349 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 123.42 14.16 4.07 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -78.84 155.82 41.45 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.492 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -79.53 100.55 7.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.789 0.328 . . . . 0.0 110.898 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 44.9 mt -88.59 114.91 27.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.437 HG11 ' HB3' ' A' ' 101' ' ' SER . 12.2 m -127.41 174.04 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.142 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -91.47 170.42 9.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 43.7 pttt -71.07 -33.25 70.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -43.42 -27.03 0.23 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 28.3 t90 -64.62 -46.75 81.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.951 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.0 t -72.03 -46.98 57.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.093 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 62.0 mt -54.77 -47.87 73.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.445 ' HB3' ' CD1' ' A' ' 99' ' ' LEU . 1.2 m-20 -68.27 -38.17 81.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 96' ' ' ARG . 6.1 m -60.83 -49.5 77.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.408 ' CD2' ' CD2' ' A' ' 19' ' ' LEU . 48.8 t-80 -69.44 -53.6 18.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.628 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -49.23 -41.9 38.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 6.0 mtm -98.84 -4.19 33.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 92' ' ' CYS . 28.8 mtm180 43.17 43.9 4.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.489 ' HD2' HD21 ' A' ' 99' ' ' LEU . 5.5 ptp180 -141.62 163.04 34.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 25.9 ttt-85 -82.61 116.07 21.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.489 HD21 ' HD2' ' A' ' 97' ' ' ARG . 45.1 mt -109.5 148.57 38.37 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.582 0.706 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 112.87 3.19 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.246 . . . . 0.0 112.329 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.437 ' HB3' HG11 ' A' ' 84' ' ' VAL . 1.6 m -67.13 -22.64 65.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.833 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.403 ' HG3' ' N ' ' A' ' 103' ' ' ARG . 10.5 pt20 -54.13 -40.52 67.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.403 ' N ' ' HG3' ' A' ' 102' ' ' GLN . 27.0 mtm180 -67.72 -21.69 65.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -108.44 24.93 12.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.962 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 8.6 mt -69.89 124.3 23.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 6.2 mtp -88.36 -46.44 9.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -124.3 176.74 6.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.094 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 83.1 147.5 7.18 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.444 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -20.68 34.54 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.694 2.263 . . . . 0.0 112.327 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 143.74 160.69 8.55 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.496 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 55.1 p -49.27 118.68 2.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.891 0.377 . . . . 0.0 110.891 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 96.0 p -87.89 48.5 1.65 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.6 m 45.96 44.61 11.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -101.84 87.77 3.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -106.56 156.54 18.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -101.0 146.58 27.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -104.14 -43.97 5.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -144.88 114.92 7.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 78.9 p -117.24 162.26 18.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -105.82 157.52 17.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.615 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 38.5 m -143.25 178.48 7.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.898 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 175.21 -165.2 36.1 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.464 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 72.05 70.66 1.17 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.517 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.3 m -81.49 44.11 0.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.93 0.395 . . . . 0.0 110.87 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -162.74 83.44 0.11 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.503 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 2.8 3.21 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.353 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 59.7 p -93.51 83.0 4.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 44.5 m -59.63 87.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.503 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.2 t -159.92 145.98 15.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 110.882 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.7 p -172.43 177.33 3.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.09 153.38 9.78 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.6 p -122.42 121.0 35.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.893 0.378 . . . . 0.0 110.842 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.6 p -123.61 133.63 53.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.66 89.54 0.34 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -117.88 66.18 5.49 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.712 0.768 . . . . 0.0 110.919 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 166.75 26.55 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.704 2.269 . . . . 0.0 112.309 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.4 ' C ' ' HD3' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -67.31 170.09 7.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -113.41 154.14 45.49 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.582 0.706 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -25.67 28.43 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.315 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -106.01 177.79 4.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.8 43.69 0.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.38 146.25 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.491 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -3.77 12.67 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.72 2.28 . . . . 0.0 112.327 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -78.05 -50.69 11.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -46.72 -33.48 4.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.443 HD13 HD12 ' A' ' 22' ' ' ILE . 4.4 mm? -80.21 -46.61 16.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.94 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.57 -9.97 10.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.2 mmtm -96.95 2.11 51.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.753 0.311 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.487 HD12 HD23 ' A' ' 48' ' ' LEU . 47.3 mt -93.29 -58.81 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.9 mt -104.87 41.49 1.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -67.73 107.45 2.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.78 26.65 11.38 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.2 t -120.12 135.54 60.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.916 0.388 . . . . 0.0 111.149 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.0 t -113.3 113.07 42.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.452 HG21 ' HB1' ' A' ' 45' ' ' ALA . 5.2 m -102.69 150.93 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 51.5 t -126.73 125.79 67.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.895 HD22 HD23 ' A' ' 41' ' ' LEU . 92.1 mt -87.44 124.42 33.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.3 t -145.5 145.12 30.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 54.68 53.65 37.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.494 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.741 ' HZ ' HG22 ' A' ' 64' ' ' ILE . 41.6 m-85 -127.4 166.35 18.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.885 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -109.51 179.31 4.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.504 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.6 OUTLIER -133.3 160.72 67.51 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.667 0.746 . . . . 0.0 110.867 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 54.1 Cg_endo -69.77 -2.42 7.15 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.377 -0.061 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.485 ' N ' ' HA ' ' A' ' 35' ' ' ASN . 23.0 t80 -33.22 -46.47 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -41.91 -56.98 2.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.5 t -53.9 -54.74 34.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.406 ' HG3' ' NZ ' ' A' ' 44' ' ' LYS . 6.4 tp10 -47.5 -48.08 27.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.895 HD23 HD22 ' A' ' 30' ' ' LEU . 30.7 tp -65.47 -40.53 93.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.502 ' HE ' HD11 ' A' ' 46' ' ' LEU . 34.3 ttp180 -60.54 -58.97 6.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.656 ' HA ' HD12 ' A' ' 46' ' ' LEU . 5.1 t0 -41.99 -55.61 3.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.406 ' NZ ' ' HG3' ' A' ' 40' ' ' GLU . 52.6 mttt -52.1 -47.46 65.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.655 ' HA ' HD12 ' A' ' 48' ' ' LEU . . . -62.45 -31.25 71.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.656 HD12 ' HA ' ' A' ' 43' ' ' ASP . 55.2 mt -69.82 -48.72 57.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.422 ' C ' ' HB3' ' A' ' 19' ' ' LEU . 12.5 mm-40 -54.96 -46.02 74.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.655 HD12 ' HA ' ' A' ' 45' ' ' ALA . 8.3 mt -57.14 -14.41 3.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.27 30.19 12.94 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.456 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.91 151.24 25.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.342 . . . . 0.0 111.102 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.1 mttm -89.72 135.22 33.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -104.4 111.21 23.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -103.83 143.47 26.71 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.579 0.704 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -12.39 32.83 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.654 2.236 . . . . 0.0 112.367 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -163.42 164.2 24.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.539 ' CZ3' ' HB3' ' A' ' 60' ' ' SER . 41.0 t-105 -61.09 127.2 30.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.2 p -124.67 -177.9 3.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.5 ptt85 -78.42 -5.5 52.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -105.85 -13.1 15.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.539 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 1.8 m -65.4 129.98 41.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 67.8 p -103.99 -44.46 5.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -123.85 152.96 41.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 1.147 . . . . 0.0 109.585 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.616 HD22 HG21 ' A' ' 76' ' ' VAL . 7.1 tp -120.51 113.91 20.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.741 HG22 ' HZ ' ' A' ' 33' ' ' PHE . 27.5 mm -80.9 111.85 18.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.082 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 8.3 t -113.71 151.95 31.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.53 -28.75 21.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.524 ' CD1' ' N ' ' A' ' 67' ' ' PHE . 0.0 OUTLIER -170.36 170.11 7.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -83.21 -176.41 6.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.6 m120 64.45 33.36 11.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -114.84 160.4 33.68 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.555 0.693 . . . . 0.0 111.16 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 -48.15 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.671 2.248 . . . . 0.0 112.394 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.9 mmtm -70.33 -14.16 62.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -72.48 -46.01 56.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.7 t -84.37 -26.91 28.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -58.77 -41.89 87.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.616 HG21 HD22 ' A' ' 63' ' ' LEU . 38.5 t -86.34 -14.86 10.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.658 HD13 ' HB1' ' A' ' 107' ' ' ALA . 32.6 tp -72.23 -40.89 67.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.67 -28.99 70.07 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.485 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 70.6 mt -70.71 -52.21 22.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.87 0.367 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 128.6 24.86 1.08 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.514 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -86.17 167.18 39.34 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.465 ' NE ' HD21 ' A' ' 105' ' ' LEU . 3.9 tpm_? -87.27 96.18 10.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.788 0.328 . . . . 0.0 110.898 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.477 HD11 ' CA ' ' A' ' 77' ' ' LEU . 28.1 mt -86.61 111.31 21.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.089 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.512 HG11 ' HB2' ' A' ' 101' ' ' SER . 11.2 m -131.39 167.96 25.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 80.6 mtt180 -81.29 177.06 9.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 88' ' ' TRP . 6.0 ptmm? -75.75 -39.96 56.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 86' ' ' LYS . 5.5 mm-40 -35.93 -32.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.467 ' N ' ' O ' ' A' ' 86' ' ' LYS . 23.2 t90 -55.75 -58.28 8.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 62.8 t -62.63 -53.59 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.463 HD11 ' NZ ' ' A' ' 86' ' ' LYS . 53.5 mt -49.89 -60.67 2.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -55.74 -45.64 77.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 4.3 m -54.06 -47.55 71.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -67.01 -55.38 14.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.646 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -44.78 -51.95 8.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 8.7 mtm -86.38 -8.81 57.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.9 mtm-85 50.33 40.76 23.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.83 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -140.43 162.48 35.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 26.7 ttt-85 -81.48 118.53 22.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 65.2 mt -107.87 148.91 38.31 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.585 0.707 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 101.38 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.359 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.512 ' HB2' HG11 ' A' ' 84' ' ' VAL . 99.7 p -63.69 -9.57 14.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -71.2 -11.0 60.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 38.0 mtt180 -95.63 -18.83 20.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -99.7 -1.51 37.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.465 HD21 ' NE ' ' A' ' 82' ' ' ARG . 26.7 mt -52.53 135.98 33.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.94 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.4 mtm -107.33 -37.78 6.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.658 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -66.06 123.94 21.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.096 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 60.15 146.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.481 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 86.93 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.676 2.25 . . . . 0.0 112.357 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 59.66 155.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 21.1 m -82.58 103.84 12.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.9 0.381 . . . . 0.0 110.876 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.1 t -108.41 -59.2 1.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.6 p -66.74 -43.95 82.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -105.48 85.14 2.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.841 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -72.05 157.41 37.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -39.29 137.2 0.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -66.68 -42.94 85.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 42.39 48.18 4.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.131 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 120' ' ' HIS . 58.3 m -107.57 92.84 4.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.438 ' C ' ' O ' ' A' ' 119' ' ' SER . 17.5 p80 -37.2 -35.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.624 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.41 ' N ' ' C ' ' A' ' 119' ' ' SER . 89.3 p -93.51 119.78 32.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.881 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -178.76 -141.27 4.29 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.461 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -121.85 56.55 0.63 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.473 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 75.3 m -103.5 141.91 35.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.924 0.393 . . . . 0.0 110.856 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 112.82 147.38 10.09 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.517 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -12.49 32.9 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.691 2.261 . . . . 0.0 112.319 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 22.8 m 45.24 47.08 10.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.892 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 14.0 m -115.41 175.13 5.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.5 m -59.75 142.26 53.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.88 0.372 . . . . 0.0 110.857 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.4 p -98.14 41.07 1.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.847 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.33 -158.99 13.95 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.49 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.7 m -144.48 134.98 24.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.897 0.38 . . . . 0.0 110.864 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.8 m -55.46 -59.85 4.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.4 168.29 14.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.517 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -151.35 144.04 16.67 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.656 0.741 . . . . 0.0 110.895 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 175.29 8.32 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.706 2.271 . . . . 0.0 112.285 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 39.0 mmt-85 -92.77 -22.61 19.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -83.77 134.06 45.17 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.636 0.732 . . . . 0.0 110.849 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 0.12 6.06 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.712 2.274 . . . . 0.0 112.364 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -38.54 113.87 0.33 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.937 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -103.58 131.68 50.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.7 -167.72 35.08 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.501 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -3.01 11.18 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.633 2.222 . . . . 0.0 112.364 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -87.41 -38.59 16.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -55.33 -34.03 63.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.595 HD12 HD23 ' A' ' 48' ' ' LEU . 2.1 mm? -60.03 -52.75 64.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.33 -17.56 32.44 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -87.35 -9.5 54.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.786 0.327 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 30.4 mt -78.62 -59.11 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.9 mt -105.55 39.52 1.74 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -66.3 118.19 9.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.08 14.99 63.47 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.442 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.9 t -109.05 149.44 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.378 . . . . 0.0 111.099 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.409 HG22 ' HB2' ' A' ' 51' ' ' LYS . 27.8 t -127.73 128.24 69.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.2 m -116.35 162.18 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 81.4 t -140.96 131.85 27.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.1 mt -88.46 121.19 30.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.3 t -148.15 105.63 3.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.57 20.26 8.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.615 ' CZ ' HG22 ' A' ' 64' ' ' ILE . 56.8 m-85 -119.13 159.37 24.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.851 0.358 . . . . 0.0 110.817 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -135.32 129.33 33.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.505 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -56.36 160.66 4.86 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.671 0.748 . . . . 0.0 110.866 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 54.1 Cg_endo -69.73 -3.58 7.74 Favored 'Cis proline' 0 C--N 1.342 0.206 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.354 -0.075 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.459 ' N ' ' HA ' ' A' ' 35' ' ' ASN . 2.6 t80 -49.51 -60.68 2.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.44 ' CG ' ' N ' ' A' ' 39' ' ' SER . 21.3 ptt85 -52.31 -44.34 65.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.821 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.44 ' N ' ' CG ' ' A' ' 38' ' ' ARG . 1.3 t -60.98 -31.89 71.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.824 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -76.39 -49.54 16.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.1 mt -53.1 -46.79 68.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.6 ttp180 -56.07 -60.38 3.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -42.94 -57.59 2.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -59.84 -43.76 94.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.0 -32.09 63.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 66.7 mt -68.89 -41.3 78.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.55 ' CD ' ' HE2' ' A' ' 93' ' ' HIS . 6.3 mt-10 -54.57 -51.87 63.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.595 HD23 HD12 ' A' ' 19' ' ' LEU . 20.9 mt -54.49 -16.22 2.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.41 30.34 12.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.484 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.72 152.8 22.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.839 0.352 . . . . 0.0 111.115 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.409 ' HB2' HG22 ' A' ' 27' ' ' VAL . 0.6 OUTLIER -89.02 141.29 28.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -112.09 109.26 18.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.405 ' HE ' HG21 ' A' ' 57' ' ' THR . 26.5 mmm180 -103.07 143.06 25.85 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.588 0.708 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -19.12 36.62 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.68 2.253 . . . . 0.0 112.327 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -153.4 154.5 34.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.577 ' CZ2' HG13 ' A' ' 76' ' ' VAL . 74.8 t-105 -60.29 125.98 25.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.405 HG21 ' HE ' ' A' ' 53' ' ' ARG . 1.5 t -131.72 171.44 13.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.117 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -63.17 -10.17 14.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.832 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -96.74 -17.74 20.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.814 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.409 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 2.1 m -71.16 123.34 21.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.6 p -95.6 -58.08 2.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.187 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -109.88 141.85 42.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.587 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.451 HD22 HG21 ' A' ' 76' ' ' VAL . 5.5 tp -110.52 131.73 54.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.615 HG22 ' CZ ' ' A' ' 33' ' ' PHE . 7.0 mm -96.97 107.21 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.089 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 6.1 t -111.13 151.26 28.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.38 -36.51 17.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -156.95 163.73 38.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.2 -178.1 4.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.157 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 61.75 46.01 7.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.846 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.9 158.84 48.96 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.548 0.69 . . . . 0.0 111.16 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -29.55 23.66 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.667 2.245 . . . . 0.0 112.362 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.42 -18.57 31.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.509 ' CE1' HD12 ' A' ' 77' ' ' LEU . 33.1 t80 -73.27 -52.51 13.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.7 m -60.5 -45.05 95.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -50.88 -68.81 0.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.577 HG13 ' CZ2' ' A' ' 56' ' ' TRP . 42.3 t -55.89 -14.92 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.117 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.509 HD12 ' CE1' ' A' ' 73' ' ' TYR . 3.1 tt -71.19 -48.56 50.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -73.96 -38.87 47.78 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.564 HD13 ' HE1' ' A' ' 56' ' ' TRP . 22.4 mt -51.24 -54.31 27.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.954 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 129.98 21.93 1.18 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -87.65 169.7 39.39 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -98.63 97.06 8.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.809 0.338 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.473 HG21 ' CD2' ' A' ' 73' ' ' TYR . 19.4 mt -82.44 120.54 34.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.127 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.75 HG11 ' HB3' ' A' ' 101' ' ' SER . 2.7 m -130.18 174.57 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -84.98 175.6 8.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HG3' HD12 ' A' ' 90' ' ' LEU . 7.7 ptpt -73.31 -38.89 65.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -41.09 -32.7 0.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -46.34 -57.63 4.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 90' ' ' LEU . 40.3 t -68.9 -63.22 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.514 HD12 ' HG3' ' A' ' 86' ' ' LYS . 51.8 mt -37.33 -50.18 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 92' ' ' CYS . 30.5 m-20 -71.54 -65.17 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 91' ' ' ASP . 9.2 m -35.08 -36.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.55 ' HE2' ' CD ' ' A' ' 47' ' ' GLU . 54.5 t-80 -79.1 -59.65 2.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.619 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -42.18 -54.99 3.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 33.4 mtm -82.23 -8.53 59.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 46.6 mtm180 50.41 43.89 26.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -143.9 158.5 43.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 14.7 ttt180 -83.09 118.07 23.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 67.5 mt -104.16 148.7 36.33 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.572 0.701 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 100.49 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.686 2.258 . . . . 0.0 112.342 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.75 ' HB3' HG11 ' A' ' 84' ' ' VAL . 1.3 m -57.09 -18.61 15.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.471 ' HA ' ' CD1' ' A' ' 105' ' ' LEU . 44.8 mt-30 -59.93 -13.19 9.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -93.9 -31.01 14.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -93.17 -2.24 55.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 102' ' ' GLN . 18.1 mt -45.64 130.3 8.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.413 ' SD ' HG22 ' A' ' 83' ' ' ILE . 71.8 mtp -96.0 -49.13 5.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -95.27 159.62 14.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 89.42 147.9 17.26 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.49 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -22.09 32.76 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.689 2.26 . . . . 0.0 112.364 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 161.62 -110.86 0.45 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.3 p -78.92 92.56 4.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.832 0.349 . . . . 0.0 110.889 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 37.2 t -118.69 -53.19 2.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 89.5 p -100.78 42.44 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -70.48 83.1 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -75.23 177.17 6.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -43.23 141.18 1.32 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -112.0 17.33 19.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -85.02 85.93 7.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 84.7 p -129.35 163.46 25.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -143.33 -178.85 6.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.604 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 54.1 p -95.65 -33.27 12.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.966 -1.016 . . . . 0.0 110.854 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 67.73 -159.56 50.63 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -165.5 -155.03 8.39 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.436 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 58.7 m -41.65 136.76 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.937 0.399 . . . . 0.0 110.856 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -126.31 171.66 18.06 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.495 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 161.75 44.74 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.672 2.248 . . . . 0.0 112.333 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 50.9 m -68.08 132.5 47.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 65.9 p -72.28 -39.57 68.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.834 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.5 p -143.42 173.46 11.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.88 0.371 . . . . 0.0 110.87 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t 47.51 41.96 13.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 44.68 76.16 0.14 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.53 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.5 p -66.03 123.47 19.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 0.0 110.847 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.6 m -82.84 104.71 13.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.69 107.93 0.23 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -166.04 151.68 8.05 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.67 0.747 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 173.13 11.41 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.372 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 -125.53 -27.39 3.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.469 ' CG ' ' HD2' ' A' ' 12' ' ' PRO . 9.6 ttm180 -71.95 140.37 83.35 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.61 0.719 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 11' ' ' ARG . 53.9 Cg_endo -69.73 116.39 4.54 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.697 2.265 . . . . 0.0 112.336 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -163.72 140.13 6.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.09 107.04 18.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -88.14 -159.15 34.3 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.497 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -0.15 6.49 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.693 2.262 . . . . 0.0 112.343 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -75.94 -54.66 6.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.839 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -56.79 -48.56 77.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.648 HD22 ' HB3' ' A' ' 47' ' ' GLU . 5.5 mp -70.39 -38.76 74.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.6 -15.54 26.07 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.462 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.429 ' NZ ' ' HA ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -94.7 5.28 52.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.762 0.315 . . . . 0.0 110.901 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.562 HG23 ' HG3' ' A' ' 98' ' ' ARG . 63.2 mt -89.21 -55.27 6.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 72.8 mt -111.76 42.61 1.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.898 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -64.91 107.79 1.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.65 28.86 7.68 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.8 t -119.94 147.64 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 0.0 111.129 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.9 t -124.91 120.8 59.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.539 HG21 ' HB1' ' A' ' 45' ' ' ALA . 10.7 m -112.58 146.25 17.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.102 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.431 HG22 ' HB2' ' A' ' 53' ' ' ARG . 67.6 t -125.85 121.45 59.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.135 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.643 HD12 ' CE1' ' A' ' 52' ' ' TYR . 88.4 mt -82.07 123.26 28.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.0 t -147.01 106.29 3.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.84 37.6 2.34 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.501 ' CE1' ' HB2' ' A' ' 66' ' ' ALA . 77.3 m-85 -130.42 161.2 31.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.792 0.329 . . . . 0.0 110.854 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -139.19 122.38 16.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.517 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 1.8 p30 -50.94 156.34 1.73 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.626 0.726 . . . . 0.0 110.921 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.5 Cg_endo -69.76 -24.71 8.42 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.332 -0.074 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' PRO . 7.5 t80 -37.03 -51.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -51.93 -49.64 62.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.8 t -62.73 -63.28 1.26 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -42.36 -49.87 5.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.409 HD23 HD22 ' A' ' 30' ' ' LEU . 59.1 tp -60.81 -41.16 95.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.445 ' HB2' HD11 ' A' ' 30' ' ' LEU . 26.3 ttp180 -61.69 -43.49 98.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -52.69 -61.7 2.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -48.17 -45.3 33.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.539 ' HB1' HG21 ' A' ' 28' ' ' VAL . . . -53.83 -40.94 66.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 22.5 mt -68.31 -43.22 78.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.648 ' HB3' HD22 ' A' ' 19' ' ' LEU . 1.1 mp0 -53.31 -47.76 68.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.5 mt -60.91 -12.61 11.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.53 15.08 44.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.504 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.17 145.27 24.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.358 . . . . 0.0 111.07 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -87.2 133.71 33.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.643 ' CE1' HD12 ' A' ' 30' ' ' LEU . 4.0 t80 -102.73 113.28 26.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.584 ' HD2' HG21 ' A' ' 57' ' ' THR . 12.2 mmt-85 -111.28 144.09 29.77 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.652 0.739 . . . . 0.0 110.86 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -34.55 14.51 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.668 2.245 . . . . 0.0 112.367 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.71 156.56 46.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.566 ' CZ2' HG13 ' A' ' 76' ' ' VAL . 60.8 t-105 -53.68 107.59 0.27 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.584 HG21 ' HD2' ' A' ' 53' ' ' ARG . 5.8 p -94.97 166.87 11.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.105 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.4 ttt85 -61.47 -37.58 84.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.446 ' O ' HG23 ' A' ' 61' ' ' THR . 1.5 m-20 -73.71 -15.68 61.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.543 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 70.8 m -42.89 120.67 1.84 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 59' ' ' ASP . 73.9 p -110.05 -34.69 6.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.199 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.441 ' CD2' ' HB3' ' A' ' 82' ' ' ARG . 10.4 m80 -141.61 135.93 30.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.102 . . . . 0.0 109.578 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.977 HD22 HG21 ' A' ' 76' ' ' VAL . 14.3 tp -100.63 122.39 43.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.968 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.0 mm -87.31 93.36 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.161 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.7 t -95.86 163.85 12.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.501 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . . . -110.01 -35.09 6.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' A' ' 67' ' ' PHE . 1.1 p90 -156.76 150.23 24.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.83 -179.89 1.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 46.9 m-20 65.92 29.59 10.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -105.45 156.23 36.69 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.627 0.727 . . . . 0.0 111.137 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -16.04 37.28 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.673 2.249 . . . . 0.0 112.305 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.7 tptt -97.38 -24.79 15.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -68.21 -37.92 81.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.7 t -84.62 -17.81 37.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -77.67 -46.03 23.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.977 HG21 HD22 ' A' ' 63' ' ' LEU . 39.9 t -75.95 -14.8 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.482 ' CD1' ' HB1' ' A' ' 107' ' ' ALA . 15.7 tp -74.47 -52.0 13.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.2 -34.56 74.12 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.461 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.408 HD13 ' NE1' ' A' ' 56' ' ' TRP . 25.3 mt -67.92 -62.49 1.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.356 . . . . 0.0 110.955 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 135.65 37.17 0.19 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.429 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -101.21 151.3 18.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.546 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.481 ' HD2' HD21 ' A' ' 105' ' ' LEU . 14.3 tpp180 -73.26 95.9 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.741 0.305 . . . . 0.0 110.854 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 18.2 mt -80.99 114.21 21.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.534 HG11 ' HB3' ' A' ' 101' ' ' SER . 11.6 m -132.28 160.19 42.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.401 ' HG3' ' CG ' ' A' ' 106' ' ' MET . 63.8 mtp180 -82.37 168.8 17.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 87' ' ' GLU . 25.9 pttm -62.67 -37.28 85.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 86' ' ' LYS . 29.7 mt-10 -36.23 -40.88 0.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 29.7 t90 -52.28 -56.22 16.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.925 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 89.2 t -63.31 -58.99 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 24.9 mt -43.0 -46.29 5.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.445 ' HB3' ' CD1' ' A' ' 99' ' ' LEU . 2.4 m-20 -71.31 -49.73 39.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 55.7 m -48.84 -45.32 40.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.402 ' O ' ' N ' ' A' ' 96' ' ' ARG . 24.6 t60 -72.68 -58.13 3.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.615 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 35.4 ttt-85 -44.82 -33.0 1.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.847 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 9.1 mtm -104.16 -9.66 18.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 93' ' ' HIS . 15.4 mtm-85 49.45 45.94 23.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -150.06 175.08 12.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.562 ' HG3' HG23 ' A' ' 22' ' ' ILE . 23.8 mtm180 -89.0 127.58 35.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.445 ' CD1' ' HB3' ' A' ' 91' ' ' ASP . 66.0 mt -116.01 150.28 44.8 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.615 0.721 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 99.03 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.634 2.223 . . . . 0.0 112.35 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.534 ' HB3' HG11 ' A' ' 84' ' ' VAL . 50.3 m -53.34 -30.18 38.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.821 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.451 ' HA ' ' CD1' ' A' ' 105' ' ' LEU . 1.2 mp0 -48.5 -50.68 30.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 34.5 mtm180 -57.68 -20.07 31.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -112.75 38.05 2.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.485 HD13 ' HA3' ' A' ' 110' ' ' GLY . 14.1 mt -88.47 125.94 34.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.868 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.401 ' CG ' ' HG3' ' A' ' 85' ' ' ARG . 31.1 mtp -89.54 -57.05 3.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.482 ' HB1' ' CD1' ' A' ' 77' ' ' LEU . . . -65.0 143.97 57.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.11 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 50.36 179.92 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 110' ' ' GLY . 53.3 Cg_endo -69.82 -43.69 2.46 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.669 2.246 . . . . 0.0 112.316 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.485 ' HA3' HD13 ' A' ' 105' ' ' LEU . . . 34.79 80.49 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.7 m -161.7 146.0 12.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 0.0 110.851 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.2 t -46.09 -48.39 17.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.848 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.9 m -50.94 -47.72 60.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -117.51 89.56 3.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -60.69 163.6 5.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.93 145.17 54.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.826 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -80.85 -58.54 3.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 119' ' ' SER . . . -49.19 -56.28 9.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 118' ' ' ALA . 2.9 t -35.81 127.9 0.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.446 ' CG ' ' O ' ' A' ' 120' ' ' HIS . 1.4 p80 -136.74 111.15 8.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.612 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.7 m -114.6 163.72 15.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.846 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 61.66 171.49 1.02 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.45 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -86.21 -136.17 4.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.476 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.6 t -120.4 149.16 42.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.948 0.404 . . . . 0.0 110.841 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 127.77 87.27 0.56 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.53 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -41.9 3.93 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.712 2.274 . . . . 0.0 112.38 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 128' ' ' SER . 6.4 m -156.91 133.25 9.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 127' ' ' SER . 2.0 t -34.74 135.08 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.514 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.0 m -157.73 167.25 30.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 110.868 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.8 p -150.05 164.82 34.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.36 115.6 0.93 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.454 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 t -159.23 124.97 4.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.864 0.364 . . . . 0.0 110.822 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 m -138.05 139.88 39.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.3 97.83 1.76 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -124.47 144.11 45.1 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.586 0.708 . . . . 0.0 110.914 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 150.72 68.42 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.665 2.244 . . . . 0.0 112.313 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -83.52 107.49 16.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.2 mmt-85 -134.41 144.06 49.45 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.663 0.744 . . . . 0.0 110.848 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 101.01 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.73 2.287 . . . . 0.0 112.342 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 68.7 mtm180 -128.37 139.44 52.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -102.11 40.87 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.52 146.2 1.15 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.522 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -3.78 12.72 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.667 2.245 . . . . 0.0 112.309 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 15.5 pt-20 -73.54 -46.74 45.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.407 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 6.4 tp10 -52.48 -47.38 66.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.708 HD22 ' HB3' ' A' ' 47' ' ' GLU . 5.5 mp -83.75 -36.17 23.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.07 -9.89 24.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.461 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -104.36 7.71 35.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.512 HD11 ' O ' ' A' ' 96' ' ' ARG . 88.1 mt -91.59 -59.07 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.476 ' CD1' HD13 ' A' ' 48' ' ' LEU . 21.1 mt -102.87 38.55 1.71 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -65.99 120.21 12.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.46 8.13 64.46 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.539 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 23.5 t -106.06 143.05 17.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.869 0.366 . . . . 0.0 111.152 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.454 HG13 ' HB2' ' A' ' 51' ' ' LYS . 21.3 t -124.57 117.12 49.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.173 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.2 m -106.93 163.79 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.7 t -136.5 126.27 39.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.151 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.6 mt -84.18 117.23 23.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.5 t -131.69 137.07 48.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 67.36 37.45 90.51 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.472 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.575 ' CE1' ' CD2' ' A' ' 41' ' ' LEU . 88.4 m-85 -120.19 141.45 49.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.843 0.354 . . . . 0.0 110.851 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -126.5 124.69 40.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.916 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.541 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 1.2 p30 -51.2 154.18 2.96 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.588 0.709 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 54.1 Cg_endo -69.68 -25.75 7.78 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.403 -0.161 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.448 ' C ' ' O ' ' A' ' 36' ' ' PRO . 6.3 t80 -34.67 -57.16 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -50.66 -42.16 56.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 36' ' ' PRO . 66.7 m -67.97 -57.87 5.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.839 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -50.36 -49.82 53.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.575 ' CD2' ' CE1' ' A' ' 33' ' ' PHE . 24.7 tp -57.49 -42.24 82.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -56.78 -60.09 4.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.635 ' HA ' HD12 ' A' ' 46' ' ' LEU . 3.9 t70 -44.03 -55.78 4.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.43 ' HG2' ' ND1' ' A' ' 93' ' ' HIS . 82.3 mttt -51.19 -45.31 61.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.12 -29.97 70.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.083 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.635 HD12 ' HA ' ' A' ' 43' ' ' ASP . 38.1 mt -72.84 -43.21 62.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.708 ' HB3' HD22 ' A' ' 19' ' ' LEU . 21.1 mm-40 -51.27 -51.85 50.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.476 HD13 ' CD1' ' A' ' 23' ' ' LEU . 21.0 mt -55.79 -18.05 7.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.96 20.67 25.38 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.455 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.69 151.01 20.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 111.088 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.454 ' HB2' HG13 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -92.44 124.52 36.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -94.61 112.88 24.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.4 mmp_? -106.61 143.74 27.63 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.617 0.722 . . . . 0.0 110.855 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -25.74 28.34 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.684 2.256 . . . . 0.0 112.32 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -140.42 155.99 46.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.53 ' CZ3' ' HB2' ' A' ' 63' ' ' LEU . 75.8 t-105 -62.44 89.4 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 t -83.55 158.53 21.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.9 ttm-85 -59.82 -13.49 10.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -89.56 -23.42 22.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.429 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 3.2 m -57.84 132.89 54.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 13.1 p -107.07 -38.94 5.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.114 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -126.14 141.62 51.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.578 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.657 HD22 HG21 ' A' ' 76' ' ' VAL . 9.2 tp -110.76 133.67 53.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.439 HG23 ' HA ' ' A' ' 86' ' ' LYS . 33.1 mm -103.2 98.08 6.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 5.0 t -94.48 138.66 32.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.401 ' C ' ' CD1' ' A' ' 67' ' ' PHE . . . -69.76 -39.69 76.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 66' ' ' ALA . 0.8 OUTLIER -165.29 168.24 17.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.475 ' C ' ' CG ' ' A' ' 69' ' ' ASN . . . -68.27 -175.56 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.057 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.475 ' CG ' ' C ' ' A' ' 68' ' ' ALA . 0.2 OUTLIER 49.44 44.57 23.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.1 p -118.43 158.62 46.4 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.585 0.707 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -35.46 12.71 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.704 2.269 . . . . 0.0 112.354 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -81.49 -14.9 56.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -78.0 -41.26 36.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 t -90.49 -9.73 46.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.829 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -82.1 -36.29 27.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.657 HG21 HD22 ' A' ' 63' ' ' LEU . 43.3 t -90.07 -14.84 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.9 tp -71.5 -51.31 24.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.84 -36.2 89.21 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.515 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 76' ' ' VAL . 19.9 mt -65.96 -42.07 90.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.868 0.366 . . . . 0.0 110.927 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 113.52 35.32 1.6 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.481 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -95.1 167.68 26.7 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -88.66 95.07 10.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.762 0.315 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.6 HG23 HD23 ' A' ' 63' ' ' LEU . 18.8 mt -86.85 114.69 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.816 HG11 ' OG ' ' A' ' 101' ' ' SER . 17.7 m -132.07 147.8 32.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 41.2 mtt85 -60.72 170.82 1.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 88' ' ' TRP . 49.5 pttt -75.24 -35.03 61.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -38.65 -26.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.489 ' N ' ' O ' ' A' ' 86' ' ' LYS . 16.0 t90 -62.15 -60.35 3.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 93.1 t -59.21 -43.1 88.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.121 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' ' 86' ' ' LYS . 4.1 mm? -53.24 -56.08 19.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 93' ' ' HIS . 7.3 m-20 -59.14 -63.05 1.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.447 ' C ' ' O ' ' A' ' 91' ' ' ASP . 81.6 m -34.57 -33.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.483 ' N ' ' O ' ' A' ' 91' ' ' ASP . 31.3 t-80 -87.16 -58.65 2.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.592 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -38.41 -44.08 0.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.443 ' CE ' ' HB3' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -99.1 -25.13 14.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.512 ' O ' HD11 ' A' ' 22' ' ' ILE . 13.3 mtt85 70.89 35.61 1.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.539 ' HD2' HD21 ' A' ' 99' ' ' LEU . 7.1 ptp85 -131.93 165.52 23.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 24.6 ttt85 -83.03 123.23 29.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.539 HD21 ' HD2' ' A' ' 97' ' ' ARG . 26.0 mt -119.0 150.21 48.28 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.587 0.708 . . . . 0.0 110.946 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 129.49 17.71 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.716 2.278 . . . . 0.0 112.358 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.816 ' OG ' HG11 ' A' ' 84' ' ' VAL . 3.9 t -83.49 -12.45 56.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.471 ' HA ' ' CD1' ' A' ' 105' ' ' LEU . 17.9 pt20 -69.24 -26.07 64.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.948 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 38.4 mtp180 -80.6 -22.7 40.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -98.83 -5.18 31.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 102' ' ' GLN . 14.4 mt -46.14 131.72 10.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.1 mtp -89.6 -63.85 1.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -82.7 176.33 9.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 63.46 153.92 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -38.46 7.72 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.707 2.271 . . . . 0.0 112.355 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 160.19 -152.72 23.58 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.442 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 36.6 m -108.33 73.49 0.88 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.868 0.366 . . . . 0.0 110.86 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.3 t -93.76 83.21 4.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 67.1 m 62.72 39.96 10.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -113.9 78.37 1.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -104.69 128.01 52.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -63.24 149.97 44.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -69.35 -50.69 44.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -163.12 106.83 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.091 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.0 m -64.23 158.39 23.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -95.96 148.5 22.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.561 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.1 m -120.56 -46.74 2.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.838 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 68.25 153.53 0.49 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.532 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -107.35 113.28 3.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.514 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 4.9 t -125.8 172.83 9.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.901 0.382 . . . . 0.0 110.882 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -166.08 162.11 35.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.528 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -35.72 12.04 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.706 2.271 . . . . 0.0 112.314 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 43.6 t -94.48 -44.0 8.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.9 m -70.67 169.18 14.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.495 -179.959 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.9 t -168.05 132.82 1.77 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.893 0.378 . . . . 0.0 110.832 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -111.28 148.14 33.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.809 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.83 93.97 0.32 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.477 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.5 t -136.54 109.37 7.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.867 0.365 . . . . 0.0 110.867 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.1 t -117.99 144.98 45.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.824 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.71 56.02 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -132.25 144.12 51.76 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.614 0.721 . . . . 0.0 110.882 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 116.98 4.81 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.738 2.292 . . . . 0.0 112.323 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -90.62 136.14 33.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.408 ' O ' ' NH1' ' A' ' 13' ' ' ARG . 81.7 mtt180 -48.35 143.79 6.92 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.605 0.717 . . . . 0.0 110.886 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 127.39 14.53 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.67 2.247 . . . . 0.0 112.318 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.408 ' NH1' ' O ' ' A' ' 11' ' ' ARG . 0.7 OUTLIER -114.17 146.63 40.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.833 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.33 102.33 14.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.105 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -98.26 -158.21 29.99 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.461 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.424 ' O ' ' N ' ' A' ' 20' ' ' GLY . 54.1 Cg_endo -69.71 2.51 3.44 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.705 2.27 . . . . 0.0 112.362 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -71.51 -65.93 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -55.97 -35.74 67.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.894 HD22 ' HB3' ' A' ' 47' ' ' GLU . 5.8 mp -81.91 -37.49 26.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.95 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 16' ' ' PRO . . . -56.49 -26.03 51.1 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -84.62 4.91 30.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.756 0.312 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.402 HD11 ' C ' ' A' ' 96' ' ' ARG . 41.9 mt -92.19 -58.31 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.153 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.4 mt -108.29 34.17 3.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -59.29 111.06 1.22 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.83 32.49 9.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.466 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.6 t -120.65 151.2 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 111.112 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.0 t -128.03 117.57 46.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.09 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.4 m -110.93 153.83 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.101 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.3 t -128.98 122.23 56.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.626 HD22 HD23 ' A' ' 41' ' ' LEU . 89.8 mt -82.16 123.41 28.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 m -140.93 132.57 27.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 74.85 31.22 58.41 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.502 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.653 ' CZ ' ' CD2' ' A' ' 41' ' ' LEU . 59.2 m-85 -112.27 161.02 17.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.789 0.328 . . . . 0.0 110.884 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.439 ' N ' ' HB2' ' A' ' 38' ' ' ARG . 9.4 tp60 -144.03 131.92 21.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.537 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -62.05 154.16 70.45 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.622 0.725 . . . . 0.0 110.891 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.9 Cg_endo -69.78 -30.91 4.88 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.649 -1.813 . . . . 0.0 112.389 -0.074 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' A' ' 36' ' ' PRO . 12.3 t80 -34.49 -58.73 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.439 ' HB2' ' N ' ' A' ' 34' ' ' GLN . 21.3 ttm180 -45.53 -49.46 13.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.4 t -64.03 -57.62 9.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -46.7 -53.71 11.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.653 ' CD2' ' CZ ' ' A' ' 33' ' ' PHE . 23.5 tp -46.54 -40.24 12.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.945 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.438 ' NE ' ' CD2' ' A' ' 52' ' ' TYR . 28.0 ttt180 -68.17 -49.29 61.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -43.21 -56.69 3.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -60.79 -49.05 79.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.78 -33.37 16.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.102 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 51.4 mt -69.12 -42.09 76.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.894 ' HB3' HD22 ' A' ' 19' ' ' LEU . 36.3 mm-40 -55.35 -43.65 75.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.6 mt -62.82 -14.65 48.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.929 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.79 23.42 33.18 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.492 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.73 152.27 18.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.885 0.374 . . . . 0.0 111.084 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.435 ' HE3' ' N ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -89.54 130.92 35.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.619 ' CE1' HD12 ' A' ' 30' ' ' LEU . 3.4 t80 -101.81 107.61 18.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -106.2 143.58 27.23 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.716 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -29.37 24.05 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.681 2.254 . . . . 0.0 112.358 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -140.41 160.53 39.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.543 ' CZ3' ' HB3' ' A' ' 60' ' ' SER . 62.2 t-105 -57.64 110.82 0.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 65.3 p -97.15 172.45 7.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -76.43 -2.24 31.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -111.53 -6.13 14.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.543 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 47.6 m -58.89 119.54 7.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 60.3 p -97.94 -33.34 11.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.171 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.445 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 21.6 m80 -137.45 147.41 45.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.582 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.486 HD22 HG21 ' A' ' 76' ' ' VAL . 10.2 tp -116.72 119.0 34.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.514 HG23 ' HA ' ' A' ' 86' ' ' LYS . 12.9 mm -86.07 92.16 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 52.4 t -93.76 144.3 25.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.02 -44.42 16.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.086 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -152.5 145.06 24.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.5 -175.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.057 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 63.29 28.66 15.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.23 160.01 27.69 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.632 0.729 . . . . 0.0 111.089 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -34.24 14.8 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.644 2.229 . . . . 0.0 112.31 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.49 -25.4 45.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.967 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.773 ' OH ' ' HB2' ' A' ' 107' ' ' ALA . 38.3 t80 -62.09 -54.62 38.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.3 t -65.55 -41.97 92.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.846 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -49.79 -48.28 50.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.486 HG21 HD22 ' A' ' 63' ' ' LEU . 39.7 t -80.75 -15.02 12.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 49.2 tp -73.8 -43.63 58.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.4 -36.55 78.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.548 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 30.2 mt -60.99 -46.81 89.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.877 0.37 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 117.18 42.07 0.66 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.513 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -101.73 166.54 18.18 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.516 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.48 ' HD2' HD21 ' A' ' 105' ' ' LEU . 3.5 tpt180 -84.9 94.79 8.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 110.871 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 57.9 mt -85.53 114.89 26.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.717 HG11 ' OG ' ' A' ' 101' ' ' SER . 4.3 m -132.06 163.03 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.6 mtp85 -69.58 177.14 3.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HA ' HG23 ' A' ' 64' ' ' ILE . 19.1 pttm -79.82 -29.79 40.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.414 ' O ' ' CG ' ' A' ' 91' ' ' ASP . 7.8 tt0 -50.67 -40.25 53.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 24.9 t90 -40.41 -33.07 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 92.4 t -88.53 -41.47 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.121 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 54.1 mt -61.36 -55.96 25.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 87' ' ' GLU . 0.7 OUTLIER -58.84 -47.95 83.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.821 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 96' ' ' ARG . 12.4 m -56.04 -52.11 65.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -60.03 -55.26 36.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.653 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -46.97 -52.38 14.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.406 ' CB ' ' HG2' ' A' ' 97' ' ' ARG . 11.3 mtm -84.21 -4.81 59.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 92' ' ' CYS . 30.0 mtm-85 47.43 44.04 16.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.406 ' HG2' ' CB ' ' A' ' 95' ' ' MET . 7.4 ptp180 -141.77 170.49 15.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 27.0 ttt-85 -93.92 114.6 26.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 72.3 mt -99.28 149.03 35.44 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.597 0.713 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 104.39 1.32 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.702 2.268 . . . . 0.0 112.311 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.717 ' OG ' HG11 ' A' ' 84' ' ' VAL . 38.8 t -51.77 -28.31 14.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -51.86 -36.79 49.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -73.76 -26.88 60.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.44 ' O ' HG12 ' A' ' 84' ' ' VAL . 97.2 m-85 -101.75 22.98 11.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.48 HD21 ' HD2' ' A' ' 82' ' ' ARG . 11.6 mt -69.54 119.89 14.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -83.88 -51.42 7.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.773 ' HB2' ' OH ' ' A' ' 73' ' ' TYR . . . -116.57 161.27 19.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.059 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 99.07 146.54 20.51 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.53 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -22.36 32.39 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.362 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 155.75 -164.54 32.22 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 78.5 p -77.67 85.4 4.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.865 0.365 . . . . 0.0 110.807 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.8 t -100.17 -60.72 1.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.5 t -124.67 54.27 1.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.825 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.75 61.34 2.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.42 ' C ' ' OE1' ' A' ' 115' ' ' GLU . 0.3 OUTLIER -74.26 156.21 37.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -125.53 168.27 13.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' A' ' 118' ' ' ALA . 17.1 mm-40 -107.63 -50.92 2.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 117' ' ' GLU . . . 68.77 42.54 1.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 34.9 t -128.34 132.87 48.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.812 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -94.5 140.0 30.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.582 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 12.6 t -98.28 -53.97 3.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.986 -1.007 . . . . 0.0 110.855 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 154.13 -176.92 31.83 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.529 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -77.96 98.43 1.45 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.491 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 28.6 t -118.69 123.52 45.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 0.0 110.859 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 169.59 83.46 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.468 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 170.38 16.78 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.691 2.261 . . . . 0.0 112.313 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.0 t -64.69 166.77 8.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 38.6 m -78.73 -177.63 5.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.5 p -170.74 139.19 1.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.358 . . . . 0.0 110.845 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.8 p -109.44 -44.93 3.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.34 165.82 6.95 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.444 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.1 m -157.13 149.36 22.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.851 0.358 . . . . 0.0 110.857 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -158.18 144.1 17.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.56 168.48 12.15 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.445 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -123.96 81.06 56.74 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.641 0.734 . . . . 0.0 110.901 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 101.96 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.357 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 11' ' ' ARG . 21.5 ttm180 -127.66 36.67 4.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -34.57 139.21 0.31 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.612 0.72 . . . . 0.0 110.857 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -51.02 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.68 2.254 . . . . 0.0 112.362 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.8 mtt180 -157.13 142.53 17.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 42.31 47.12 4.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.049 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.64 -158.51 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.461 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -0.73 7.29 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.684 2.256 . . . . 0.0 112.347 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -75.59 -64.38 1.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -41.34 -45.91 3.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.636 HD13 HD12 ' A' ' 22' ' ' ILE . 4.3 mm? -73.29 -48.25 36.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.13 -21.39 38.85 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -86.49 4.47 39.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.744 0.307 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.636 HD12 HD13 ' A' ' 19' ' ' LEU . 27.2 mt -93.17 -59.07 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.183 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.458 ' CD1' HD13 ' A' ' 48' ' ' LEU . 22.9 mt -105.08 40.97 1.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -63.62 112.49 2.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.41 28.67 16.25 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.472 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.2 t -117.01 134.13 61.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 0.0 111.166 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.523 HG22 ' HB2' ' A' ' 51' ' ' LYS . 84.4 t -115.46 110.4 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.41 ' HB ' ' CG1' ' A' ' 64' ' ' ILE . 17.0 m -106.35 151.87 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.751 HG22 ' HB2' ' A' ' 53' ' ' ARG . 70.6 t -127.0 129.82 71.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.429 HD12 ' CE1' ' A' ' 52' ' ' TYR . 87.2 mt -81.96 123.48 28.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.6 m -139.89 105.86 5.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.07 39.52 3.52 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.483 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.584 ' CE1' ' CD2' ' A' ' 41' ' ' LEU . 92.9 m-85 -127.92 148.56 50.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -136.51 128.96 30.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.544 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 2.0 p30 -54.22 154.17 8.49 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.662 0.744 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 54.1 Cg_endo -69.77 -23.91 8.84 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.341 -0.018 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -41.39 -52.37 3.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 -50.03 -54.28 21.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.0 m -56.94 -60.35 3.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -44.94 -51.72 9.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.584 ' CD2' ' CE1' ' A' ' 33' ' ' PHE . 28.4 tp -55.52 -46.33 77.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.464 ' HG3' ' CD2' ' A' ' 52' ' ' TYR . 36.5 ttp180 -57.77 -52.18 66.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.708 ' HA ' HD12 ' A' ' 46' ' ' LEU . 24.1 t0 -50.11 -53.41 27.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.865 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.441 ' HG2' ' ND1' ' A' ' 93' ' ' HIS . 64.1 mttt -52.57 -45.22 66.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.5 -36.11 75.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.708 HD12 ' HA ' ' A' ' 43' ' ' ASP . 27.2 mt -64.74 -42.05 95.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.417 ' C ' ' HB3' ' A' ' 19' ' ' LEU . 6.1 mm-40 -51.33 -53.42 36.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.458 HD13 ' CD1' ' A' ' 23' ' ' LEU . 6.8 mt -57.27 -12.78 2.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.1 27.74 25.02 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.49 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.57 155.86 17.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.873 0.368 . . . . 0.0 111.081 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.523 ' HB2' HG22 ' A' ' 27' ' ' VAL . 0.9 OUTLIER -92.64 130.28 38.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.464 ' CD2' ' HG3' ' A' ' 42' ' ' ARG . 1.8 t80 -101.03 113.59 26.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.751 ' HB2' HG22 ' A' ' 29' ' ' VAL . 13.1 mmp_? -108.75 143.98 28.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.61 0.719 . . . . 0.0 110.87 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -26.41 27.49 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.709 2.273 . . . . 0.0 112.3 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -143.84 164.0 31.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.667 ' CZ2' HG13 ' A' ' 76' ' ' VAL . 58.7 t-105 -61.05 108.35 0.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.941 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 39.3 p -100.48 166.88 10.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -69.96 -24.44 63.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.819 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -85.11 -14.22 47.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.494 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 28.1 m -55.51 139.78 42.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 39.6 p -109.44 -42.94 4.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.099 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.46 ' CE1' HH21 ' A' ' 82' ' ' ARG . 0.3 OUTLIER -127.98 161.87 28.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.644 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.732 HD23 HG21 ' A' ' 76' ' ' VAL . 1.2 tm? -119.92 121.09 38.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.963 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.679 ' N ' HD13 ' A' ' 63' ' ' LEU . 29.9 mm -90.61 97.73 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.159 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 41.3 t -105.24 140.25 38.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.414 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . . . -88.4 -40.07 13.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.414 ' CE1' ' HB3' ' A' ' 66' ' ' ALA . 0.4 OUTLIER -154.26 137.95 16.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.05 -178.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 65.62 45.26 2.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.2 p -125.39 158.17 65.16 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.563 0.697 . . . . 0.0 111.176 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -25.71 28.33 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.68 2.253 . . . . 0.0 112.316 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm -90.28 -34.68 15.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.472 ' CZ ' HD12 ' A' ' 77' ' ' LEU . 37.7 t80 -57.22 -59.22 5.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.6 t -60.42 -46.42 90.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.827 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -47.33 -61.56 1.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.732 HG21 HD23 ' A' ' 63' ' ' LEU . 39.9 t -65.59 -14.93 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.472 HD12 ' CZ ' ' A' ' 73' ' ' TYR . 4.8 tt -77.21 -57.99 3.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.961 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.77 -39.32 87.0 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.505 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 76' ' ' VAL . 20.2 mt -55.67 -38.0 69.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.853 0.359 . . . . 0.0 110.946 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 114.93 13.67 9.1 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.496 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -78.25 161.88 49.18 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.469 ' HG3' HD21 ' A' ' 105' ' ' LEU . 24.3 ttp180 -84.34 100.85 11.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.782 0.325 . . . . 0.0 110.871 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.463 ' CD1' ' O ' ' A' ' 73' ' ' TYR . 12.2 mt -91.52 125.67 44.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.779 HG11 ' HB2' ' A' ' 101' ' ' SER . 2.3 m -136.73 157.79 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -75.93 160.83 29.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -60.02 -30.17 68.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -45.0 -29.43 0.84 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 19.1 t90 -59.85 -52.77 64.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 81.1 t -66.52 -50.95 62.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 33.6 mt -51.1 -56.88 10.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -59.31 -58.49 8.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 96' ' ' ARG . 64.3 m -43.54 -49.48 7.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.441 ' ND1' ' HG2' ' A' ' 44' ' ' LYS . 7.2 t-80 -58.94 -67.72 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.637 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 -41.06 -60.29 1.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.48 ' HB3' ' NE ' ' A' ' 97' ' ' ARG . 4.2 mmt -66.79 -24.71 66.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 92' ' ' CYS . 69.3 mtm180 62.34 33.24 16.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.48 ' NE ' ' HB3' ' A' ' 95' ' ' MET . 8.1 ptp180 -129.8 176.28 8.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 29.6 ttt-85 -97.85 88.54 4.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 20.8 mt -81.63 148.87 63.1 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.604 0.716 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 121.43 8.13 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.779 ' HB2' HG11 ' A' ' 84' ' ' VAL . 33.2 p -76.98 -23.12 52.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.84 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -55.22 -32.41 62.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -75.39 -16.23 60.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -110.71 30.31 6.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.469 HD21 ' HG3' ' A' ' 82' ' ' ARG . 16.3 mt -85.63 121.13 27.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.896 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 11.0 mtm -86.54 -52.1 5.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.14 120.1 3.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.149 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 40.27 -159.24 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.504 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -9.62 26.55 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.684 2.256 . . . . 0.0 112.307 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 121.69 -122.82 5.27 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.465 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.1 p -136.12 124.14 22.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.865 0.364 . . . . 0.0 110.896 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.4 t -100.24 82.74 2.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.7 m 43.75 43.67 5.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -118.98 96.89 5.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -145.28 170.45 16.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -78.04 110.76 13.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.833 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -65.83 -39.59 90.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -76.77 80.03 3.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.058 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.7 t -68.22 89.24 0.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -80.47 115.9 20.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.605 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 43.1 t -61.41 155.82 20.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.885 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -169.07 140.86 6.37 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -98.66 153.05 19.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.485 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 78.2 p -61.28 130.35 45.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.932 0.396 . . . . 0.0 110.848 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -98.68 146.6 18.22 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.451 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -174.31 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.261 . . . . 0.0 112.376 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 35.0 m -98.14 139.55 33.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.2 t 52.05 40.54 28.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.513 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.6 m -120.82 158.03 28.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.851 0.358 . . . . 0.0 110.842 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.8 m -129.88 173.24 10.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.45 -151.42 8.13 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.502 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.7 t -164.23 147.58 9.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.853 0.359 . . . . 0.0 110.863 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.6 t -75.62 124.77 27.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.83 90.86 0.81 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -117.94 142.33 30.7 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.673 0.749 . . . . 0.0 110.857 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 123.18 9.84 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.704 2.269 . . . . 0.0 112.304 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.64 154.0 41.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.44 155.42 39.7 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.655 0.74 . . . . 0.0 110.832 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -12.5 33.05 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.71 2.273 . . . . 0.0 112.313 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -69.18 172.92 6.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.48 ' HB3' ' NH1' ' A' ' 96' ' ' ARG . . . -70.06 81.33 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.72 -158.18 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.486 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 2.03 3.89 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.689 2.259 . . . . 0.0 112.317 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -67.39 -55.52 13.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -55.25 -56.18 22.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.683 HD22 ' HB3' ' A' ' 47' ' ' GLU . 5.4 mp -52.05 -51.92 54.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.956 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.45 -17.26 1.15 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.531 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.2 mttp -94.88 -28.36 15.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.709 0.29 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.5 HG23 ' HB2' ' A' ' 98' ' ' ARG . 62.4 mt -55.7 -59.03 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.153 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.468 ' CD1' HD13 ' A' ' 48' ' ' LEU . 66.8 mt -106.23 56.37 0.66 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -80.72 107.19 13.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.41 29.34 10.25 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.0 t -119.29 144.59 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 111.156 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.558 HG22 ' HE3' ' A' ' 51' ' ' LYS . 22.0 t -120.51 113.03 38.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.5 m -105.82 148.84 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.408 HG22 ' HB2' ' A' ' 53' ' ' ARG . 48.3 t -130.56 126.96 61.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.76 HD12 ' CE1' ' A' ' 52' ' ' TYR . 18.7 mt -87.55 124.94 34.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.7 t -141.47 105.44 4.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.812 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.6 50.09 1.73 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.488 ' HZ ' HG22 ' A' ' 64' ' ' ILE . 88.9 m-85 -125.35 161.83 26.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 0.0 110.868 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -140.05 124.83 18.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.491 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.4 OUTLIER -60.01 159.98 18.27 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.708 . . . . 0.0 110.901 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 54.1 Cg_endo -69.78 -27.33 6.89 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.336 -0.048 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 36' ' ' PRO . 13.6 t80 -36.76 -47.91 0.7 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -52.68 -55.9 19.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 95.2 p -59.23 -58.43 8.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -47.28 -51.91 17.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.4 tp -53.22 -48.64 67.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.513 ' HD2' ' CD2' ' A' ' 52' ' ' TYR . 27.0 ttp180 -57.21 -42.57 81.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -54.22 -59.51 4.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.544 ' HG3' ' CD2' ' A' ' 93' ' ' HIS . 1.7 mptp? -50.49 -45.65 56.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.651 ' HA ' HD12 ' A' ' 48' ' ' LEU . . . -55.26 -41.18 71.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.091 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.2 mt -63.33 -41.79 98.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.683 ' HB3' HD22 ' A' ' 19' ' ' LEU . 3.1 mp0 -56.56 -37.75 70.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.651 HD12 ' HA ' ' A' ' 45' ' ' ALA . 5.7 mt -70.88 -14.77 62.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.972 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.69 16.2 49.74 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.512 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.77 147.54 26.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.841 0.353 . . . . 0.0 111.07 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.558 ' HE3' HG22 ' A' ' 27' ' ' VAL . 32.9 mtmt -88.8 123.93 33.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.935 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.76 ' CE1' HD12 ' A' ' 30' ' ' LEU . 3.7 t80 -101.75 112.08 24.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.447 ' HE ' HG21 ' A' ' 57' ' ' THR . 32.1 mmm180 -107.63 143.53 27.45 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.61 0.719 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -12.53 33.18 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.721 2.28 . . . . 0.0 112.308 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -152.74 163.8 39.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.476 ' CZ2' HG13 ' A' ' 76' ' ' VAL . 72.8 t-105 -64.71 102.66 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.447 HG21 ' HE ' ' A' ' 53' ' ' ARG . 11.1 p -85.2 -175.85 5.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.13 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.26 -3.5 57.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -106.24 -15.47 14.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.827 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.407 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 64.1 m -51.58 129.17 25.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 71.5 p -110.63 -31.27 7.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.085 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -136.73 125.11 23.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.59 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.786 HD22 HG21 ' A' ' 76' ' ' VAL . 11.4 tp -95.07 114.1 25.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.99 -1.004 . . . . 0.0 110.857 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.606 HG23 ' HA ' ' A' ' 86' ' ' LYS . 43.8 mm -80.14 97.86 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 19.5 t -98.53 141.18 31.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.34 -33.82 23.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -160.96 145.1 13.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.57 -179.71 2.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.086 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 67.52 37.24 3.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.44 160.07 35.91 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.558 0.694 . . . . 0.0 111.156 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -29.91 23.35 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.668 2.245 . . . . 0.0 112.345 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.74 -26.72 27.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.691 ' CE1' HD12 ' A' ' 77' ' ' LEU . 3.0 t80 -63.82 -45.64 88.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.3 t -65.06 -47.48 77.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.843 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -47.41 -64.09 0.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.786 HG21 HD22 ' A' ' 63' ' ' LEU . 42.1 t -60.67 -14.86 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.691 HD12 ' CE1' ' A' ' 73' ' ' TYR . 4.6 tt -75.11 -46.25 35.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -72.08 -37.58 59.99 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.493 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 35.0 mt -58.07 -47.17 83.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.832 0.349 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 122.49 27.92 1.54 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -94.19 152.56 20.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -76.86 103.24 6.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.772 0.32 . . . . 0.0 110.911 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.61 HG12 HD23 ' A' ' 63' ' ' LEU . 21.0 mt -91.6 112.16 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.549 HG11 ' HB2' ' A' ' 101' ' ' SER . 17.4 m -126.21 167.46 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 29.7 mmm-85 -71.94 173.81 7.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.606 ' HA ' HG23 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -83.79 -33.82 24.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -47.21 -31.42 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 27.7 t90 -49.48 -49.74 44.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 89.4 t -65.33 -55.12 21.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.114 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 78.4 mt -49.14 -64.46 0.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -48.06 -48.74 33.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.8 m -53.67 -48.18 69.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.544 ' CD2' ' HG3' ' A' ' 44' ' ' LYS . 45.8 t60 -67.32 -64.55 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.576 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -39.33 -54.22 1.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 28.3 mtm -80.8 -15.18 57.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.494 ' C ' HD11 ' A' ' 22' ' ' ILE . 60.3 mtm180 58.29 38.7 26.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -135.52 160.23 39.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.5 ' HB2' HG23 ' A' ' 22' ' ' ILE . 36.8 ttt-85 -88.6 117.23 27.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 26.1 mt -104.32 145.67 31.13 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.603 0.716 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 101.06 0.87 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.66 2.24 . . . . 0.0 112.357 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.549 ' HB2' HG11 ' A' ' 84' ' ' VAL . 24.0 p -43.51 -24.62 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.468 ' HA ' ' CD1' ' A' ' 105' ' ' LEU . 3.5 mp0 -52.83 -43.95 66.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -60.6 -17.54 47.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -117.51 34.64 5.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.48 HD11 ' HB3' ' A' ' 111' ' ' SER . 10.1 mt -84.37 109.92 18.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.927 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 12.3 mtm -89.97 -43.26 10.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.445 ' HB2' HD12 ' A' ' 83' ' ' ILE . . . -83.36 145.67 28.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 107' ' ' ALA . . . 59.21 145.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.46 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 89.24 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.654 2.236 . . . . 0.0 112.39 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 61.1 -173.38 6.38 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.501 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.48 ' HB3' HD11 ' A' ' 105' ' ' LEU . 94.0 p -124.53 115.01 20.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.836 0.351 . . . . 0.0 110.829 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 113' ' ' SER . 5.5 t -110.76 95.33 5.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 112' ' ' SER . 92.5 p 36.52 49.55 0.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -113.08 80.76 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -98.71 172.17 7.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -107.54 146.75 31.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -52.37 -45.84 65.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -108.47 43.02 1.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.072 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.0 m -49.27 -39.05 29.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 30.0 p80 -93.64 108.58 20.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.622 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 74.3 m -64.6 -55.29 21.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 137.07 -60.32 0.62 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.458 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 40.79 -128.49 3.21 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.1 t -169.44 175.27 5.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.921 0.391 . . . . 0.0 110.858 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -104.43 -94.39 2.33 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.513 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 143.2 50.28 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.697 2.264 . . . . 0.0 112.366 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 54.0 p -139.29 168.26 20.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 62.0 p -96.08 42.26 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.839 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 179.977 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -62.86 150.44 41.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.338 . . . . 0.0 110.876 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -156.53 125.71 6.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.799 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.99 123.52 0.68 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.477 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.5 p -110.61 114.8 28.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.881 0.372 . . . . 0.0 110.883 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 m -50.72 -48.7 58.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.35 68.23 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -54.74 148.59 25.93 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.658 0.742 . . . . 0.0 110.897 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 170.93 15.39 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.43 108.09 19.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.2 tpt180 -96.02 134.32 24.0 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.629 0.728 . . . . 0.0 110.837 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -18.72 36.97 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.651 2.234 . . . . 0.0 112.321 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.4 mmp_? -47.22 173.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.05 33.21 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.084 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.82 146.27 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.461 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -1.56 8.69 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.697 2.265 . . . . 0.0 112.346 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 18' ' ' GLU . 4.5 tp10 -72.32 -66.62 0.63 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' GLU . 7.0 mm-40 -37.5 -60.51 0.68 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.94 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.852 HD22 ' HB3' ' A' ' 47' ' ' GLU . 5.5 mp -61.82 -47.37 85.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.49 -15.14 2.72 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.17 -19.27 16.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.757 0.313 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.559 HD11 ' C ' ' A' ' 96' ' ' ARG . 75.4 mt -63.31 -58.4 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.417 ' CD1' HD13 ' A' ' 48' ' ' LEU . 48.8 mt -110.34 49.06 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.02 116.9 12.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.35 31.92 32.71 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.511 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.2 t -117.16 146.73 21.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.84 0.353 . . . . 0.0 111.175 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.494 HG21 ' OD2' ' A' ' 59' ' ' ASP . 57.7 t -119.24 119.4 60.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.5 m -116.29 146.32 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.5 t -120.49 125.88 74.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.701 HD12 ' CE1' ' A' ' 52' ' ' TYR . 94.8 mt -83.2 117.57 23.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.514 ' O ' ' CD2' ' A' ' 33' ' ' PHE . 7.7 t -124.13 153.82 40.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 39.38 53.28 2.82 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.512 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.514 ' CD2' ' O ' ' A' ' 31' ' ' SER . 45.3 m-85 -124.59 150.3 46.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 0.0 110.86 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -140.78 136.15 32.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.509 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.6 OUTLIER -65.85 160.47 61.94 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.591 0.71 . . . . 0.0 110.895 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.6 Cg_endo -69.79 -27.47 6.82 Favored 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.325 -0.038 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' A' ' 36' ' ' PRO . 51.5 t80 -35.37 -49.9 0.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -53.13 -53.5 49.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.1 p -57.62 -47.67 81.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -57.13 -53.22 60.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 39.8 tp -60.75 -44.43 96.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.591 ' NH1' HD11 ' A' ' 46' ' ' LEU . 2.9 tmm_? -51.89 -44.45 63.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.465 ' HA ' HD12 ' A' ' 46' ' ' LEU . 7.0 t70 -59.99 -55.95 27.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -48.03 -51.23 24.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.27 -35.97 39.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.077 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.591 HD11 ' NH1' ' A' ' 42' ' ' ARG . 42.1 mt -70.07 -46.45 64.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.852 ' HB3' HD22 ' A' ' 19' ' ' LEU . 17.0 mm-40 -51.18 -44.96 61.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.526 ' CD1' HG13 ' A' ' 89' ' ' VAL . 8.9 mt -65.29 -17.13 64.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.43 30.45 9.89 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.498 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.23 152.24 20.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 111.08 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -92.1 122.69 34.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.701 ' CE1' HD12 ' A' ' 30' ' ' LEU . 1.3 t80 -97.28 108.55 21.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -105.06 143.26 26.37 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.623 0.725 . . . . 0.0 110.853 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -20.58 34.58 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.728 2.285 . . . . 0.0 112.32 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -143.97 159.05 43.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.553 ' CZ3' ' HB3' ' A' ' 60' ' ' SER . 62.4 t-105 -57.27 105.49 0.24 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.3 p -92.57 170.44 9.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -78.02 -1.61 33.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.494 ' OD2' HG21 ' A' ' 27' ' ' VAL . 30.2 t0 -108.43 -7.36 15.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.553 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 4.3 m -59.64 125.5 23.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.469 ' C ' ' ND1' ' A' ' 62' ' ' HIS . 22.0 p -108.31 -30.9 8.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.1 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.58 ' CD2' ' CH2' ' A' ' 88' ' ' TRP . 0.2 OUTLIER -135.13 126.66 28.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.541 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.579 HD23 HG12 ' A' ' 83' ' ' ILE . 20.4 tp -95.59 120.22 35.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.606 HG23 ' HA ' ' A' ' 86' ' ' LYS . 13.2 mm -93.38 91.31 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 6.7 t -94.45 145.34 24.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.86 -42.91 26.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -161.05 161.08 31.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.53 -178.07 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 57.38 51.98 9.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.7 p -127.88 157.24 74.29 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.6 0.714 . . . . 0.0 111.115 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -18.81 37.09 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.676 2.25 . . . . 0.0 112.341 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -94.12 -31.94 13.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.532 ' CE2' HD12 ' A' ' 77' ' ' LEU . 73.5 t80 -56.99 -58.66 7.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.8 t -61.97 -49.08 77.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.802 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -43.36 -58.15 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.516 HG21 HD22 ' A' ' 63' ' ' LEU . 39.3 t -71.09 -14.97 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.532 HD12 ' CE2' ' A' ' 73' ' ' TYR . 2.2 tt -72.05 -52.17 18.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.95 -39.74 93.33 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.484 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 43.5 mt -53.9 -43.58 69.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.88 0.372 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 114.79 29.66 2.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.47 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -93.11 174.63 35.71 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.422 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.512 HH21 ' CE1' ' A' ' 62' ' ' HIS . 13.7 ttp-105 -97.79 105.27 17.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.328 . . . . 0.0 110.909 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.579 HG12 HD23 ' A' ' 63' ' ' LEU . 22.4 mt -91.97 113.48 27.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.585 HG11 ' HB2' ' A' ' 101' ' ' SER . 16.8 m -128.43 151.13 34.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.096 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.9 mtp180 -64.59 171.18 3.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.606 ' HA ' HG23 ' A' ' 64' ' ' ILE . 14.4 pttp -76.39 -23.48 54.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.496 ' HA ' HD12 ' A' ' 90' ' ' LEU . 16.1 mm-40 -50.42 -38.59 43.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.58 ' CH2' ' CD2' ' A' ' 62' ' ' HIS . 27.2 t90 -46.58 -43.02 16.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.526 HG13 ' CD1' ' A' ' 48' ' ' LEU . 93.5 t -72.91 -58.66 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.162 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 87' ' ' GLU . 13.1 mt -42.51 -71.36 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -44.5 -47.69 10.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.8 m -55.56 -43.74 76.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.424 ' O ' ' N ' ' A' ' 96' ' ' ARG . 24.5 t60 -72.21 -63.59 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.584 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.7 tpp85 -42.44 -44.69 4.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.452 ' CB ' ' HG2' ' A' ' 97' ' ' ARG . 5.0 mtm -91.22 -11.49 38.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.559 ' C ' HD11 ' A' ' 22' ' ' ILE . 27.5 mtm-85 50.95 42.31 28.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.452 ' HG2' ' CB ' ' A' ' 95' ' ' MET . 5.1 ptp180 -137.1 158.75 43.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 17.0 ttt-85 -85.33 107.02 17.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.6 mt -102.33 148.86 36.04 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.561 0.695 . . . . 0.0 110.941 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 129.28 17.27 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.705 2.27 . . . . 0.0 112.281 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.585 ' HB2' HG11 ' A' ' 84' ' ' VAL . 64.6 p -71.09 -10.5 59.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -54.89 -53.53 54.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.584 ' HG3' ' CD2' ' A' ' 104' ' ' TYR . 3.3 ptp180 -63.22 -12.26 27.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.584 ' CD2' ' HG3' ' A' ' 103' ' ' ARG . 81.3 m-85 -112.81 28.03 9.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.0 mt -79.99 125.69 30.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.3 mtp -101.24 -36.18 9.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -114.75 179.72 3.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.84 146.22 0.53 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -4.56 14.29 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.665 2.243 . . . . 0.0 112.34 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 118.56 -147.78 18.49 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.463 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.8 m -83.93 83.18 8.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 0.0 110.887 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 91.3 p -82.07 43.97 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.3 m 57.02 43.83 23.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.98 25.71 1.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -111.33 163.29 14.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -108.8 164.51 12.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -62.88 -50.3 71.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -101.52 -61.66 1.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.0 t -152.16 148.37 27.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.85 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -95.82 -51.38 4.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.582 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.5 t -56.24 -51.63 67.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.873 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 120.29 -124.07 5.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 178.2 100.29 0.13 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.3 p -107.24 130.68 54.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.972 0.415 . . . . 0.0 110.85 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -96.78 179.34 34.17 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.452 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 88.35 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.692 2.262 . . . . 0.0 112.348 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 58.7 p -104.66 139.1 40.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.827 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 17.6 t -84.68 151.54 24.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.501 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 t -43.26 -56.37 3.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 0.0 110.896 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.9 p -69.51 113.09 6.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.91 -98.15 0.19 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.466 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.7 p -51.73 -47.28 64.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.929 0.395 . . . . 0.0 110.875 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.0 t -67.07 148.98 51.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.891 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.92 -144.69 5.94 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.505 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -155.94 144.06 14.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.639 0.733 . . . . 0.0 110.881 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 157.57 59.95 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.651 2.234 . . . . 0.0 112.346 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.9 mmt85 -133.06 138.03 46.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -146.9 143.94 19.26 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.559 0.695 . . . . 0.0 110.881 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -28.98 24.2 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.656 2.237 . . . . 0.0 112.313 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 15' ' ' GLY . 44.6 mtt-85 -77.44 143.61 38.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.418 ' HB1' ' CD ' ' A' ' 18' ' ' GLU . . . -64.41 74.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.099 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 13' ' ' ARG . . . -63.27 -158.24 0.17 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.465 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -2.3 9.94 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.706 2.271 . . . . 0.0 112.334 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -70.0 -42.45 73.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.795 ' HG2' HD12 ' A' ' 19' ' ' LEU . 6.2 pt-20 -65.54 -48.75 71.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.795 HD12 ' HG2' ' A' ' 18' ' ' GLU . 5.5 mp -61.42 -55.8 27.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.47 -17.61 2.02 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.503 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.9 mmtm -89.73 -26.85 20.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.692 0.282 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.492 HD11 ' O ' ' A' ' 96' ' ' ARG . 45.8 mt -57.51 -57.71 9.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.6 mt -106.76 57.3 0.64 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.939 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -78.88 112.54 16.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.6 23.69 41.98 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.8 t -110.5 146.24 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 0.0 111.103 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.417 HG22 ' HB2' ' A' ' 51' ' ' LYS . 65.0 t -124.06 115.0 43.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.1 m -105.25 153.95 6.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.174 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.9 t -128.47 125.85 64.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.0 mt -87.06 119.1 26.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.963 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 85.3 p -129.53 133.13 47.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 67.0 43.34 91.41 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.492 ' CE1' ' HB2' ' A' ' 66' ' ' ALA . 64.5 m-85 -126.28 150.68 48.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 0.0 110.861 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.4 pm0 -140.23 140.57 35.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.54 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 1.2 p-10 -62.31 154.17 72.45 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.564 0.697 . . . . 0.0 110.944 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.7 Cg_endo -69.79 -26.41 7.44 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.363 -0.007 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.435 ' C ' ' O ' ' A' ' 36' ' ' PRO . 1.7 t80 -34.85 -50.34 0.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -54.68 -47.71 73.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 36' ' ' PRO . 1.5 t -61.63 -48.53 80.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -56.49 -48.08 77.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.459 ' CD1' ' CE1' ' A' ' 33' ' ' PHE . 10.3 mt -61.76 -57.63 11.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -52.11 -46.7 65.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -53.32 -59.19 4.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -56.79 -38.24 72.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.33 -35.01 76.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.0 mt -69.42 -39.78 77.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.607 ' HB3' HD22 ' A' ' 19' ' ' LEU . 14.7 mm-40 -52.52 -52.17 56.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.4 mt -57.37 -18.77 19.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.04 22.12 23.71 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.34 154.84 17.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 111.127 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.417 ' HB2' HG22 ' A' ' 27' ' ' VAL . 14.2 mtpt -91.12 142.26 27.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -111.71 112.25 23.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -115.38 143.81 31.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.556 0.693 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -12.85 33.79 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.655 2.237 . . . . 0.0 112.374 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' A' ' 56' ' ' TRP . 7.5 t70 -151.72 169.65 21.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.588 ' CZ2' ' O ' ' A' ' 60' ' ' SER . 70.3 t-105 -74.58 121.92 22.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.7 p -110.31 -178.02 3.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.153 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.5 ptt85 -74.68 -4.53 37.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -110.45 -23.09 11.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.588 ' O ' ' CZ2' ' A' ' 56' ' ' TRP . 4.0 m -51.8 106.36 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.825 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.8 p -85.81 -45.09 11.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.137 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -122.42 148.01 45.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.57 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.675 HD23 HG23 ' A' ' 83' ' ' ILE . 3.7 tp -118.0 128.62 54.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.99 -1.004 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.5 mm -89.14 91.62 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 42.3 t -95.49 114.06 25.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.492 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . . . -67.27 -35.19 78.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -161.17 142.5 11.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.71 -175.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.102 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.3 m120 64.33 26.14 13.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -110.5 159.9 30.52 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.566 0.698 . . . . 0.0 111.156 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -19.33 36.29 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.733 2.289 . . . . 0.0 112.293 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.06 -18.24 24.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.866 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -76.41 -48.84 18.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.5 m -73.16 -31.68 64.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.838 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -61.17 -60.39 3.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.495 HG21 HD13 ' A' ' 63' ' ' LEU . 39.3 t -67.04 -14.96 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.569 ' CA ' HD11 ' A' ' 83' ' ' ILE . 37.8 tp -78.61 -50.44 11.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -62.05 -32.93 84.01 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 76' ' ' VAL . 9.1 mt -71.11 -57.52 4.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.801 0.334 . . . . 0.0 110.93 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 131.16 28.8 0.63 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -87.66 173.73 43.96 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.521 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.549 ' HG3' HD21 ' A' ' 105' ' ' LEU . 8.1 ttm180 -88.21 94.82 9.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 110.863 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.675 HG23 HD23 ' A' ' 63' ' ' LEU . 35.1 mt -84.26 120.61 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.109 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.408 HG11 ' HB2' ' A' ' 101' ' ' SER . 15.7 m -138.65 176.59 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.117 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -94.88 -178.13 4.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.4 pttm -77.48 -29.65 52.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -43.78 -32.24 1.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 19.9 t90 -58.99 -60.11 4.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 95.7 t -59.64 -52.36 61.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 28.4 mt -49.68 -57.36 7.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.453 ' HB3' HD11 ' A' ' 99' ' ' LEU . 3.8 m-20 -62.18 -41.6 98.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 2.8 m -56.4 -44.86 80.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -76.84 -60.77 2.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.57 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -43.27 -33.93 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 5.5 mtm -104.8 -11.84 16.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.492 ' O ' HD11 ' A' ' 22' ' ' ILE . 51.1 mtm180 52.54 41.83 31.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -137.82 166.11 24.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.477 ' HB2' HG23 ' A' ' 22' ' ' ILE . 47.4 ttt85 -92.63 115.3 27.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.453 HD11 ' HB3' ' A' ' 91' ' ' ASP . 58.0 mt -103.03 144.01 27.77 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.614 0.721 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 93.4 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 2.245 . . . . 0.0 112.352 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.408 ' HB2' HG11 ' A' ' 84' ' ' VAL . 16.2 p -49.6 -21.17 0.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -53.78 -25.11 17.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -92.45 -14.75 28.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -107.23 23.16 14.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.549 HD21 ' HG3' ' A' ' 82' ' ' ARG . 63.1 mt -84.2 133.39 34.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.934 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.4 mtm -90.62 -61.72 1.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -116.26 4.52 13.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.117 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -75.17 145.82 33.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.498 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -172.95 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.698 2.265 . . . . 0.0 112.354 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 112' ' ' SER . . . -75.28 116.94 5.13 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.1 t -61.56 77.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.873 0.368 . . . . 0.0 110.875 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 110' ' ' GLY . 63.5 p -78.71 -44.1 24.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.4 t -92.55 39.22 1.03 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.849 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -76.23 58.59 1.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -66.11 152.01 45.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -84.62 137.75 33.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.831 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -108.25 -48.45 3.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.47 80.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 89.9 p -97.36 168.72 10.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 -44.93 105.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.582 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 41.3 p -128.01 -178.78 4.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.867 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -127.78 -64.83 0.13 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.06 -130.71 3.2 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.509 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 79.0 p 43.59 31.25 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.897 0.38 . . . . 0.0 110.834 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -128.71 -78.09 0.22 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -0.52 7.04 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.699 2.266 . . . . 0.0 112.311 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 38.6 t -39.45 117.0 0.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.809 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 36.9 m -54.97 124.64 17.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.6 p -94.89 125.65 39.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.831 0.348 . . . . 0.0 110.896 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.2 t -142.86 138.96 30.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.91 164.82 25.27 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 p -90.61 162.21 15.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.882 0.373 . . . . 0.0 110.852 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.3 p -111.71 -45.5 3.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.73 142.91 4.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -171.48 151.65 3.03 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.698 0.761 . . . . 0.0 110.86 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 117.5 5.13 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.645 2.23 . . . . 0.0 112.303 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -100.91 -30.2 11.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -72.57 145.21 87.15 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.607 0.718 . . . . 0.0 110.845 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -174.64 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.8 ttp85 -73.75 -69.6 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.13 39.47 3.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.055 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.22 151.45 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.461 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 2.33 3.67 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.638 2.225 . . . . 0.0 112.35 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 18' ' ' GLU . 5.3 tp10 -80.14 -53.12 6.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 17' ' ' GLU . 26.4 tp10 -34.51 -60.78 0.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.697 HD22 ' HB3' ' A' ' 47' ' ' GLU . 5.6 mp -59.21 -49.16 78.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 47' ' ' GLU . . . -47.84 -18.61 0.74 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.458 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.6 mttp -90.07 -29.45 18.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.757 0.313 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.43 HD12 HD23 ' A' ' 48' ' ' LEU . 74.9 mt -52.49 -57.71 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.118 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.8 mt -109.38 47.91 0.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.963 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -68.9 113.15 6.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.89 36.56 9.08 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.446 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.429 HG12 ' N ' ' A' ' 27' ' ' VAL . 84.7 t -120.34 153.82 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.361 . . . . 0.0 111.091 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.429 ' N ' HG12 ' A' ' 26' ' ' VAL . 65.9 t -128.2 115.96 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.6 m -112.16 169.78 4.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.1 t -144.36 125.21 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.697 HD12 ' CE1' ' A' ' 52' ' ' TYR . 64.0 mt -82.08 117.71 22.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.2 t -127.84 134.29 49.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 67.4 42.09 90.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.541 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -120.32 151.68 38.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.782 0.325 . . . . 0.0 110.908 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -142.86 123.28 13.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.546 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 11.7 p-10 -50.8 153.84 2.72 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.64 0.733 . . . . 0.0 110.904 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 54.3 Cg_endo -69.75 -26.2 7.54 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.399 -0.073 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.458 ' C ' ' O ' ' A' ' 36' ' ' PRO . 15.8 t80 -34.04 -60.69 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -45.75 -53.25 9.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.0 t -58.03 -58.66 7.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -45.09 -47.81 11.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.515 HD23 HD22 ' A' ' 30' ' ' LEU . 57.0 tp -64.76 -46.5 81.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.604 ' CZ ' ' CD2' ' A' ' 52' ' ' TYR . 9.9 tpt180 -44.51 -53.7 6.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -55.99 -54.66 42.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -46.38 -49.44 17.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.654 ' HA ' HD12 ' A' ' 48' ' ' LEU . . . -62.06 -41.69 98.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.085 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.9 -43.29 98.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.697 ' HB3' HD22 ' A' ' 19' ' ' LEU . 4.6 mm-40 -53.69 -48.83 69.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' A' ' 45' ' ' ALA . 4.4 mt -58.24 -23.48 56.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.63 26.81 8.35 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.99 151.57 20.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.834 0.349 . . . . 0.0 111.112 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.451 ' HD2' ' N ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -85.18 130.98 34.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.697 ' CE1' HD12 ' A' ' 30' ' ' LEU . 7.1 t80 -103.05 107.15 17.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.457 ' HD2' HG21 ' A' ' 57' ' ' THR . 15.5 mmt180 -105.62 140.82 21.56 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.625 0.726 . . . . 0.0 110.874 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.77 -16.7 37.63 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -149.4 162.41 40.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.478 ' CZ3' ' HB3' ' A' ' 60' ' ' SER . 55.5 t-105 -63.94 99.95 0.28 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.457 HG21 ' HD2' ' A' ' 53' ' ' ARG . 48.9 p -93.88 -179.73 5.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.12 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.07 -32.95 67.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.401 ' HB3' HG21 ' A' ' 27' ' ' VAL . 45.8 m-20 -74.34 -17.76 60.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.478 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 17.5 m -53.18 118.14 3.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.7 p -107.35 -36.68 6.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.163 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -126.41 143.05 51.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.607 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.491 HD22 ' CB ' ' A' ' 76' ' ' VAL . 15.7 tp -109.36 117.43 34.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.561 HG23 ' HA ' ' A' ' 86' ' ' LYS . 25.8 mm -87.05 89.7 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 36.0 t -94.61 138.19 32.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.69 -41.11 46.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -160.53 155.12 23.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.84 -177.88 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.2 m120 63.95 33.29 12.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.59 157.49 44.16 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.584 0.707 . . . . 0.0 111.18 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -17.31 37.74 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.698 2.265 . . . . 0.0 112.333 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.5 tptp -97.17 -15.66 20.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -78.63 -44.13 24.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.9 m -76.32 -34.14 59.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -59.62 -61.3 2.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.491 ' CB ' HD22 ' A' ' 63' ' ' LEU . 39.8 t -63.98 -15.0 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.103 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.611 ' CA ' HD11 ' A' ' 83' ' ' ILE . 59.2 tp -75.82 -46.38 30.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.47 -37.32 92.58 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.467 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 76' ' ' VAL . 20.7 mt -61.62 -42.87 99.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.808 0.337 . . . . 0.0 110.891 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 111.84 37.86 1.49 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.515 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -99.84 163.84 19.54 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.511 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 17.0 ttm-85 -76.03 95.12 3.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.351 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.611 HD11 ' CA ' ' A' ' 77' ' ' LEU . 67.2 mt -85.83 112.96 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.624 HG11 ' OG ' ' A' ' 101' ' ' SER . 30.8 m -129.88 153.97 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.403 ' HG2' ' CE ' ' A' ' 106' ' ' MET . 98.9 mtt180 -74.67 159.26 32.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.561 ' HA ' HG23 ' A' ' 64' ' ' ILE . 17.5 pttm -59.94 -39.07 84.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.549 ' HA ' HD12 ' A' ' 90' ' ' LEU . 27.7 tt0 -38.37 -41.3 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.49 ' HA ' ' CE2' ' A' ' 104' ' ' TYR . 25.0 t90 -43.94 -46.03 7.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 95.7 t -72.05 -51.68 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 87' ' ' GLU . 46.5 mt -47.11 -68.37 0.2 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.417 ' HB3' ' CD1' ' A' ' 99' ' ' LEU . 0.5 OUTLIER -51.07 -56.47 12.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 19.7 m -46.18 -41.75 13.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 59.9 t60 -71.78 -63.26 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.638 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -38.49 -57.29 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.825 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 12.5 mtm -78.28 -24.55 46.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.411 ' C ' HD11 ' A' ' 22' ' ' ILE . 64.7 mtt85 63.74 42.65 6.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -143.89 153.47 42.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.4 121.58 17.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.417 ' CD1' ' HB3' ' A' ' 91' ' ' ASP . 96.3 mt -111.7 153.02 44.49 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.638 0.733 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 100.83 0.85 Allowed 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.693 2.262 . . . . 0.0 112.359 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.624 ' OG ' HG11 ' A' ' 84' ' ' VAL . 1.1 t -58.1 -27.86 64.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -40.05 -57.68 1.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -57.05 -28.18 62.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.49 ' CE2' ' HA ' ' A' ' 88' ' ' TRP . 69.9 m-85 -80.58 -32.13 36.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.532 HD23 HG12 ' A' ' 84' ' ' VAL . 68.4 mt -45.18 108.17 0.12 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.403 ' CE ' ' HG2' ' A' ' 85' ' ' ARG . 5.0 mtm -68.18 -62.69 1.29 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.426 ' HB3' HD13 ' A' ' 77' ' ' LEU . . . -114.58 1.84 14.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.13 144.21 42.56 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.462 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -1.2 8.06 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.643 2.229 . . . . 0.0 112.342 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 101.47 -164.05 17.82 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 35.9 t -97.08 -53.61 3.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.86 0.362 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.8 m 56.73 43.22 25.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.924 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 21.2 m 45.49 46.11 10.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.872 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -95.32 41.09 1.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -57.52 176.29 0.14 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.941 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 117' ' ' GLU . 11.2 t70 -134.57 140.85 46.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 116' ' ' ASP . 9.4 mm-40 -36.21 -47.86 0.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -114.25 80.64 1.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.12 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 19.8 m -60.64 -46.35 90.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.425 ' O ' ' CG ' ' A' ' 120' ' ' HIS . 42.1 p-80 -115.38 85.92 2.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.591 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.4 p -97.1 122.6 40.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.876 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -96.29 -135.22 8.31 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 66.53 86.07 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.471 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 96.3 p -165.95 166.89 17.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.967 0.413 . . . . 0.0 110.836 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -179.7 -179.26 48.76 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 124.92 11.57 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.705 2.27 . . . . 0.0 112.363 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 28.1 m -138.56 148.54 44.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 55.3 m -97.46 174.54 6.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.461 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -152.43 115.67 4.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.898 0.38 . . . . 0.0 110.857 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 t -143.93 160.44 40.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.64 -173.97 14.2 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.498 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.2 m -117.96 174.92 5.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.895 0.379 . . . . 0.0 110.818 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.7 t -152.3 122.81 7.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.462 ' O ' ' C ' ' A' ' 8' ' ' GLU . . . -98.57 51.54 1.21 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.488 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 7' ' ' GLY . 15.9 mt-10 -32.66 96.0 0.09 OUTLIER Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.618 0.723 . . . . 0.0 110.907 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.436 ' N ' ' O ' ' A' ' 7' ' ' GLY . 53.5 Cg_endo -69.83 92.43 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.664 2.243 . . . . 0.0 112.343 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -42.37 149.82 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 67.2 mtt-85 -99.43 143.91 27.31 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.555 0.693 . . . . 0.0 110.904 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -30.92 21.24 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.653 2.236 . . . . 0.0 112.321 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.426 ' HG3' ' N ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -70.5 158.16 36.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.426 ' N ' ' HG3' ' A' ' 13' ' ' ARG . . . -46.16 142.84 2.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.071 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.71 158.27 4.96 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.516 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -3.79 12.7 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.343 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -71.44 -42.28 68.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -49.46 -56.93 8.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.741 HD22 ' HB3' ' A' ' 47' ' ' GLU . 5.0 mp -71.85 -36.79 70.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.95 -9.05 9.28 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt -102.51 4.77 38.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.768 0.318 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.0 mt -89.13 -57.98 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.427 ' CD1' HD13 ' A' ' 48' ' ' LEU . 78.1 mt -110.81 41.42 1.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -64.31 129.75 41.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.85 25.45 67.05 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.464 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.414 HG12 ' N ' ' A' ' 27' ' ' VAL . 65.5 t -117.51 153.48 19.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.916 0.389 . . . . 0.0 111.094 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.414 ' N ' HG12 ' A' ' 26' ' ' VAL . 55.0 t -126.84 141.27 46.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.8 m -133.72 141.34 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.147 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.6 t -116.62 126.15 73.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.155 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.81 HD21 HD12 ' A' ' 41' ' ' LEU . 96.7 mt -84.92 132.23 34.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.0 m -151.46 133.86 15.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.59 48.55 61.79 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.521 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.474 ' CZ ' HG22 ' A' ' 64' ' ' ILE . 42.3 m-85 -127.64 155.36 44.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 0.0 110.886 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -137.23 140.53 41.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.5 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 13.8 m-80 -65.36 160.93 54.83 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.622 0.725 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.4 Cg_endo -69.75 -29.18 5.84 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.648 -1.813 . . . . 0.0 112.329 -0.104 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.719 ' CZ ' HD23 ' A' ' 41' ' ' LEU . 11.1 t80 -35.37 -52.66 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 37' ' ' PHE . 9.7 tpp85 -35.41 -50.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.2 t -67.13 -55.63 13.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -43.46 -44.27 5.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.81 HD12 HD21 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -53.8 -54.22 41.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.956 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.52 ' HD2' ' CD2' ' A' ' 52' ' ' TYR . 29.5 ttp180 -60.39 -58.55 8.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -41.28 -51.4 3.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.499 ' HG2' ' CG ' ' A' ' 93' ' ' HIS . 43.2 mttp -66.17 -39.81 90.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.91 -33.29 75.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 69.9 mt -68.5 -49.23 61.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.963 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.741 ' HB3' HD22 ' A' ' 19' ' ' LEU . 12.0 mm-40 -49.68 -49.83 45.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.427 HD13 ' CD1' ' A' ' 23' ' ' LEU . 11.7 mt -57.58 -18.46 19.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.21 13.11 43.38 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.518 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.5 141.7 28.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.368 . . . . 0.0 111.067 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -85.3 128.41 34.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.806 ' CE1' HD12 ' A' ' 30' ' ' LEU . 3.8 t80 -95.89 127.91 42.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -123.67 144.63 44.99 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.608 0.718 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -24.32 29.62 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.716 2.278 . . . . 0.0 112.301 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -147.68 170.57 17.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.592 ' CZ2' HG13 ' A' ' 76' ' ' VAL . 31.2 t-105 -59.27 139.11 57.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.8 p -133.87 156.59 47.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.156 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.406 ' C ' ' HD3' ' A' ' 58' ' ' ARG . 2.9 tmt_? -57.81 -29.05 64.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.71 -11.31 56.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.446 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 68.0 m -56.85 123.16 14.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 51.3 p -106.0 -41.38 5.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -128.32 152.08 48.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.624 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.622 HD22 HG21 ' A' ' 76' ' ' VAL . 11.3 tp -122.14 128.38 51.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.977 -1.011 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.474 HG22 ' CZ ' ' A' ' 33' ' ' PHE . 20.4 mm -90.82 98.01 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 23.4 t -100.49 144.53 29.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.93 -30.86 16.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.111 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -164.54 156.23 15.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.26 -175.46 1.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.113 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 61.39 32.34 19.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.1 p -109.79 157.12 38.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.612 0.72 . . . . 0.0 111.17 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -19.92 35.64 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.651 2.234 . . . . 0.0 112.355 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.0 tptp -96.19 -9.21 31.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.432 ' HD1' HG21 ' A' ' 83' ' ' ILE . 34.2 t80 -79.35 -45.7 19.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -78.27 -36.2 47.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.849 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 19.8 tp60 -55.5 -51.54 66.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.622 HG21 HD22 ' A' ' 63' ' ' LEU . 38.6 t -78.89 -14.93 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.172 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 38.8 tp -69.02 -44.07 73.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -74.98 -36.91 45.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.465 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.543 HD13 ' CD1' ' A' ' 56' ' ' TRP . 67.9 mt -54.95 -41.87 71.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.87 0.367 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 116.04 21.38 4.93 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.479 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -85.2 167.14 41.15 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.479 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -91.33 98.23 11.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.826 0.345 . . . . 0.0 110.895 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.432 HG21 ' HD1' ' A' ' 73' ' ' TYR . 33.1 mt -85.0 115.05 26.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.0 m -134.67 160.17 41.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -79.05 167.01 21.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.6 pttt -65.07 -31.99 73.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.0 -28.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 23.2 t90 -62.8 -49.2 75.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 71.4 t -70.12 -48.91 59.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.077 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 58.5 mt -47.42 -59.27 3.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -61.01 -46.47 90.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 17.4 m -52.37 -37.23 55.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.499 ' CG ' ' HG2' ' A' ' 44' ' ' LYS . 59.3 t-80 -80.43 -57.7 3.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.563 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -44.74 -39.15 4.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 32.0 mtm -102.0 -10.52 19.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.9 mtm-85 48.3 42.9 18.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.1 ptp85 -139.39 154.83 47.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -69.47 121.06 16.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.819 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 84.1 mt -111.65 144.07 29.86 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.619 0.723 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 109.2 2.26 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.35 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.6 p -64.73 -13.18 53.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -61.69 -25.6 67.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 16.2 mtt85 -86.81 -24.74 24.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -103.9 28.87 6.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 105' ' ' LEU . 12.5 mt -78.1 128.28 33.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.7 mtp -87.21 -59.17 2.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -118.47 161.93 19.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.129 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 82.87 155.71 18.96 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -45.06 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.31 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 169.43 -160.48 33.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.438 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 65.5 p -64.31 97.32 0.19 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.822 0.344 . . . . 0.0 110.857 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 33.4 m -94.07 38.92 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.9 t 53.13 48.68 21.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.844 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.1 6.72 41.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -65.86 170.22 5.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -52.78 161.87 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -92.23 -44.69 8.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -161.78 116.56 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.108 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.0 m -124.48 171.47 9.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.83 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -154.69 154.13 32.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.582 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 33.9 t -155.07 149.3 25.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 114.977 -1.011 . . . . 0.0 110.866 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -125.21 -70.71 0.2 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.439 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.06 133.58 7.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 28.2 p -128.76 127.8 42.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.906 0.384 . . . . 0.0 110.878 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 128.32 -94.56 0.38 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.458 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -38.77 7.31 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.686 2.257 . . . . 0.0 112.312 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 67.1 m -57.42 123.88 17.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.9 t -44.74 -42.61 7.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.6 m -155.79 124.13 5.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.87 0.367 . . . . 0.0 110.815 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 m -132.97 142.69 48.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.67 143.92 10.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.453 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.9 m -51.41 158.91 0.77 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.882 0.372 . . . . 0.0 110.851 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 t -144.84 147.93 33.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.74 -156.82 19.71 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.464 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -79.07 144.02 62.37 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.623 0.725 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 125.33 12.0 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.32 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.61 51.64 0.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.406 ' C ' ' HD3' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -89.68 139.22 27.87 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.618 0.723 . . . . 0.0 110.846 -179.877 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 170.28 17.01 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.668 2.246 . . . . 0.0 112.32 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.3 mtm180 -54.05 -37.32 64.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -153.69 138.48 17.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.068 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -139.71 -156.96 7.1 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.517 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 2.53 3.48 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.698 2.265 . . . . 0.0 112.337 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -76.31 -46.04 29.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -77.51 -25.86 50.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.617 HD13 HD12 ' A' ' 22' ' ' ILE . 4.3 mm? -79.53 -48.75 13.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.9 -16.37 5.85 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.458 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.07 -22.36 22.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.792 0.33 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.617 HD12 HD13 ' A' ' 19' ' ' LEU . 37.2 mt -62.94 -58.33 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.142 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.1 mt -109.37 39.96 1.96 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -60.15 124.12 19.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.85 32.27 53.93 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.462 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.5 t -116.35 150.36 18.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 111.13 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -130.52 116.97 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.3 m -110.1 140.52 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.9 t -117.65 125.42 74.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.14 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.453 HD22 HD23 ' A' ' 41' ' ' LEU . 66.3 mt -82.11 126.98 32.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 t -152.43 107.49 3.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.824 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.04 40.2 2.91 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.567 ' HZ ' HG22 ' A' ' 64' ' ' ILE . 66.3 m-85 -126.59 163.65 22.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -141.56 123.86 15.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.491 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -55.5 160.7 3.56 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 110.902 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 54.0 Cg_endo -69.75 -11.0 11.75 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.375 -0.066 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -39.17 -54.13 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 35' ' ' ASN . 37.5 mtp180 -44.12 -68.49 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.3 m -44.58 -62.59 1.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -43.57 -50.93 7.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.453 HD23 HD22 ' A' ' 30' ' ' LEU . 44.5 tp -57.69 -64.67 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.567 ' HG3' ' CD2' ' A' ' 52' ' ' TYR . 16.9 ttt180 -37.86 -54.8 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -43.69 -66.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.6 mttt -49.34 -42.04 40.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.63 -40.26 87.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.7 mt -63.78 -35.76 81.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -56.92 -51.17 70.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.553 HD23 HD12 ' A' ' 19' ' ' LEU . 12.6 mt -59.46 -11.93 5.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.34 20.09 43.02 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.479 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.31 147.19 23.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 0.0 111.133 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -91.71 128.71 37.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.567 ' CD2' ' HG3' ' A' ' 42' ' ' ARG . 0.4 OUTLIER -98.17 109.86 22.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 -105.53 142.91 25.74 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.618 0.723 . . . . 0.0 110.844 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -16.89 37.71 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.713 2.275 . . . . 0.0 112.346 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.8 p30 -148.65 163.32 37.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.623 ' CE2' HG13 ' A' ' 76' ' ' VAL . 61.6 t-105 -71.04 105.08 3.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 78.9 p -91.27 -178.52 5.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.149 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -82.42 1.0 39.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -110.78 -9.89 14.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.56 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 39.9 m -55.16 129.76 39.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.826 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 72.7 p -109.5 -32.27 7.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.116 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.568 ' CD2' ' HD2' ' A' ' 82' ' ' ARG . 3.7 m80 -138.44 144.56 40.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.581 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.527 ' HB2' ' CZ3' ' A' ' 56' ' ' TRP . 20.8 tp -114.46 122.84 47.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.999 -1.001 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.567 HG22 ' HZ ' ' A' ' 33' ' ' PHE . 23.8 mm -89.1 91.06 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 34.3 t -93.08 144.2 25.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.6 -31.46 19.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.069 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -163.2 151.05 13.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.44 -178.0 1.02 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.123 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 31.9 m-20 61.75 51.83 3.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.7 p -128.7 157.1 76.31 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.591 0.71 . . . . 0.0 111.115 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -19.18 36.41 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.654 2.236 . . . . 0.0 112.362 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.2 tptp -94.89 -32.66 13.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.588 ' CE1' HD12 ' A' ' 77' ' ' LEU . 14.0 t80 -57.03 -57.85 10.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 t -60.9 -52.46 64.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.839 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -43.3 -58.88 2.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.937 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.623 HG13 ' CE2' ' A' ' 56' ' ' TRP . 39.2 t -67.21 -15.01 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.588 HD12 ' CE1' ' A' ' 73' ' ' TYR . 3.3 tt -75.19 -47.96 25.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.95 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.64 -36.29 67.49 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.9 mt -55.39 -46.88 76.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.857 0.36 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 121.41 30.18 1.33 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.487 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -97.3 168.56 24.35 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.45 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.568 ' HD2' ' CD2' ' A' ' 62' ' ' HIS . 10.7 ttm180 -89.93 97.85 11.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.78 0.324 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.447 HD11 ' CA ' ' A' ' 77' ' ' LEU . 65.9 mt -84.87 112.86 22.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.167 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.3 m -126.19 164.81 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 25.1 mtt85 -83.55 166.64 18.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.501 ' HA ' HG23 ' A' ' 64' ' ' ILE . 20.2 pttp -65.12 -44.24 89.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.531 ' HA ' HD12 ' A' ' 90' ' ' LEU . 0.7 OUTLIER -42.25 -28.87 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 23.8 t90 -50.59 -51.26 50.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 66.7 t -68.73 -50.06 58.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 87' ' ' GLU . 34.7 mt -49.64 -59.63 3.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -59.54 -57.88 11.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 96' ' ' ARG . 15.9 m -42.0 -55.66 3.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.411 ' O ' ' N ' ' A' ' 96' ' ' ARG . 44.5 t-80 -57.5 -59.81 4.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.631 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.3 tpt85 -39.8 -59.99 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 5.5 mtm -77.56 -12.18 59.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.535 ' HD3' HD21 ' A' ' 19' ' ' LEU . 70.3 mtt-85 50.34 46.94 24.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -147.8 164.46 33.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -79.7 98.96 7.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 47.1 mt -83.61 153.87 65.03 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.646 0.736 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 100.94 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.715 2.277 . . . . 0.0 112.351 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.1 t -58.47 -31.1 67.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.639 ' HA ' HD12 ' A' ' 105' ' ' LEU . 6.2 pt20 -47.5 -31.99 4.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -73.21 -30.05 63.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -97.32 -13.88 21.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.639 HD12 ' HA ' ' A' ' 102' ' ' GLN . 22.7 mt -52.77 107.51 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.4 mtp -74.58 -54.59 7.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.0 166.84 0.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.125 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.11 -160.37 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.501 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 88.31 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.662 2.241 . . . . 0.0 112.377 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -99.63 -51.22 1.32 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.411 ' OG ' HD11 ' A' ' 105' ' ' LEU . 94.4 p -84.69 79.59 9.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.919 0.39 . . . . 0.0 110.891 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 113' ' ' SER . 53.9 m -71.57 80.32 0.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 112' ' ' SER . 1.9 t 37.6 40.54 0.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -107.89 80.58 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -83.15 124.86 30.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -47.18 151.89 0.64 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -131.4 -56.33 1.02 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 63.97 49.92 2.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.9 t -116.24 -51.13 2.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.819 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -84.65 59.14 5.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.628 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.2 m -152.33 157.12 40.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.877 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -76.6 66.61 2.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.489 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -84.08 -89.91 0.78 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 69.9 m 63.26 40.08 9.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.913 0.387 . . . . 0.0 110.854 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 97.53 -110.32 4.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 137.53 35.57 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.658 2.238 . . . . 0.0 112.334 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 97.0 p -127.22 161.75 27.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 6.1 t -102.9 -48.95 3.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.522 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -173.21 171.72 4.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.37 . . . . 0.0 110.831 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.5 p -156.69 161.96 39.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.09 135.14 1.77 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -149.15 164.58 34.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.843 0.354 . . . . 0.0 110.913 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.7 p -171.61 164.18 6.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.94 136.71 2.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.464 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.479 ' N ' ' OE1' ' A' ' 8' ' ' GLU . 7.1 pm0 -172.66 143.74 1.22 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.625 0.726 . . . . 0.0 110.904 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 114.11 3.59 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.685 2.257 . . . . 0.0 112.369 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.439 ' HG2' ' NH1' ' A' ' 13' ' ' ARG . 6.2 tmm_? -138.19 132.04 31.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -77.57 139.86 63.59 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.591 0.71 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 131.67 21.72 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.671 2.248 . . . . 0.0 112.34 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.439 ' NH1' ' HG2' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -162.26 158.92 25.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.92 176.05 6.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 152.15 -153.91 25.21 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.483 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -0.41 6.93 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.628 2.219 . . . . 0.0 112.336 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.498 ' C ' ' CD ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -80.24 -59.13 2.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -60.35 -52.05 66.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.49 HD22 ' HB3' ' A' ' 47' ' ' GLU . 5.1 mp -59.54 -37.76 79.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.61 -13.19 22.83 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.491 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -93.84 -0.46 55.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.773 0.32 . . . . 0.0 110.942 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.48 HD13 ' CA ' ' A' ' 97' ' ' ARG . 7.1 mt -83.0 -57.85 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.424 ' CD1' HD13 ' A' ' 48' ' ' LEU . 50.7 mt -110.89 43.11 1.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -68.06 120.84 14.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.0 29.17 23.78 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.452 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.5 t -122.09 147.29 26.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.84 0.352 . . . . 0.0 111.125 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.4 t -123.47 117.72 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.554 HG21 ' HB1' ' A' ' 45' ' ' ALA . 3.1 m -108.12 133.76 52.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.3 t -110.78 123.45 66.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.761 HD22 HD23 ' A' ' 41' ' ' LEU . 81.3 mt -82.99 116.68 22.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.9 t -142.66 106.24 4.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.468 ' O ' ' CB ' ' A' ' 66' ' ' ALA . . . 106.91 34.4 3.01 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.698 ' CZ ' HG22 ' A' ' 64' ' ' ILE . 66.9 m-85 -127.52 160.95 29.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 0.0 110.855 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.485 ' O ' ' CB ' ' A' ' 37' ' ' PHE . 40.3 tt0 -137.05 129.33 29.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.552 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 8.2 p30 -53.77 151.71 11.09 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.621 0.724 . . . . 0.0 110.931 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.8 Cg_endo -69.75 -15.24 12.47 Favored 'Cis proline' 0 C--N 1.341 0.146 0 C-N-CA 122.748 -1.772 . . . . 0.0 112.325 0.01 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.485 ' CB ' ' O ' ' A' ' 34' ' ' GLN . 2.0 t80 -36.84 -47.51 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.477 ' HG3' ' N ' ' A' ' 35' ' ' ASN . 25.8 mtt180 -51.23 -70.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.6 t -48.12 -57.21 6.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -46.68 -50.36 17.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.761 HD23 HD22 ' A' ' 30' ' ' LEU . 10.0 tp -55.78 -48.88 74.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.547 ' HD2' ' CD2' ' A' ' 52' ' ' TYR . 26.0 ttt180 -60.82 -55.36 34.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -40.12 -57.2 1.73 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.464 ' HG2' ' ND1' ' A' ' 93' ' ' HIS . 66.1 mttt -59.55 -43.42 93.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.554 ' HB1' HG21 ' A' ' 28' ' ' VAL . . . -61.32 -32.69 72.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 72.6 mt -70.74 -43.54 68.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.49 ' HB3' HD22 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -51.02 -54.0 28.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.424 HD13 ' CD1' ' A' ' 23' ' ' LEU . 20.6 mt -53.19 -23.19 7.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.75 23.77 7.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.545 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.25 150.33 22.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 111.095 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.27 143.07 26.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.547 ' CD2' ' HD2' ' A' ' 42' ' ' ARG . 5.0 t80 -108.18 114.7 28.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.0 mmp_? -103.13 143.75 27.24 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.625 0.726 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -19.51 35.99 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.639 2.226 . . . . 0.0 112.353 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -159.37 164.34 34.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.635 ' CZ2' HG13 ' A' ' 76' ' ' VAL . 67.0 t-105 -62.2 116.59 5.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.2 t -123.14 172.71 8.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.144 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -64.2 -13.86 51.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.23 -6.39 38.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.836 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.488 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 72.5 m -78.21 118.14 20.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 72.3 p -94.91 -56.3 2.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.135 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.506 ' CE1' HH21 ' A' ' 82' ' ' ARG . 1.0 OUTLIER -112.02 141.06 46.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.614 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.545 HD23 HG23 ' A' ' 83' ' ' ILE . 6.0 tp -107.55 117.89 35.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.945 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.698 HG22 ' CZ ' ' A' ' 33' ' ' PHE . 45.8 mm -81.41 91.06 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.077 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 49.6 t -89.39 127.04 35.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.628 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . . . -75.82 -30.14 58.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -166.07 148.21 7.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.55 -175.02 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 60.01 41.94 16.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -121.15 159.69 48.48 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.558 0.694 . . . . 0.0 111.145 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -32.42 18.81 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.684 2.256 . . . . 0.0 112.378 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -82.68 -28.68 30.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -62.48 -43.61 98.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 m -82.98 -10.49 58.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -79.62 -33.63 41.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.937 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.635 HG13 ' CZ2' ' A' ' 56' ' ' TRP . 39.8 t -93.59 -14.91 8.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.5 ' CA ' HD11 ' A' ' 83' ' ' ILE . 51.0 tp -70.92 -38.71 72.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -79.46 -38.82 20.13 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.456 HD13 ' NE1' ' A' ' 56' ' ' TRP . 39.3 mt -55.47 -49.06 73.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.343 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 129.88 11.15 2.67 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.484 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -81.76 165.26 45.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.494 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.506 HH21 ' CE1' ' A' ' 62' ' ' HIS . 11.4 ttp180 -90.72 113.06 25.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 0.0 110.831 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.545 HG23 HD23 ' A' ' 63' ' ' LEU . 18.6 mt -95.39 115.22 33.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 16.4 m -131.66 159.1 43.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.148 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 -75.1 177.49 6.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.7 pttm -78.83 -31.92 45.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -41.86 -30.44 0.25 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 26.1 t90 -59.39 -47.44 85.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.959 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 80.0 t -71.68 -55.76 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 77.8 mt -44.22 -55.12 5.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.49 ' HB3' HD11 ' A' ' 99' ' ' LEU . 4.4 m-20 -64.41 -45.29 88.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 3.7 m -50.1 -49.03 52.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.469 ' O ' ' N ' ' A' ' 96' ' ' ARG . 21.8 t-80 -72.56 -60.82 2.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.602 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.8 tpt85 -40.88 -38.04 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 4.4 mtm -97.88 -15.22 20.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 93' ' ' HIS . 37.3 mtt180 55.09 45.39 26.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.48 ' CA ' HD13 ' A' ' 22' ' ' ILE . 9.2 ptp180 -145.27 -179.76 6.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 59.8 ttt-85 -99.85 117.52 34.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.49 HD11 ' HB3' ' A' ' 91' ' ' ASP . 74.2 mt -107.11 149.67 38.92 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.652 0.739 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 108.24 2.04 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.682 2.254 . . . . 0.0 112.386 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.4 p -63.44 -15.94 59.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -61.95 -29.75 70.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -77.47 -29.83 52.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -96.66 22.33 8.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.2 mt -69.07 128.19 35.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.3 mmt -82.12 -59.79 2.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -114.38 159.6 20.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.051 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 132.26 145.94 5.59 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 -41.24 4.37 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.642 2.228 . . . . 0.0 112.376 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 159.86 157.19 8.48 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.479 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 43.9 p -45.52 -54.69 7.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.862 0.363 . . . . 0.0 110.866 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 12.4 t 40.65 42.64 1.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.909 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.9 m 63.6 42.82 6.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.803 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -117.71 39.48 3.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -69.11 171.97 7.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.27 122.36 20.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -93.23 -18.8 22.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -104.62 83.22 2.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.098 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.3 t -109.54 86.39 2.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 56.1 m80 -70.67 145.52 50.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.565 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.2 t -161.11 173.83 14.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.99 -1.004 . . . . 0.0 110.836 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 97.19 -58.11 1.19 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -71.47 95.37 0.6 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.479 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.5 t -69.47 -22.68 63.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.934 0.397 . . . . 0.0 110.874 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 128.1 -66.14 0.57 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.513 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 111.71 2.89 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.743 2.295 . . . . 0.0 112.304 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 58.6 m 42.45 45.69 3.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.49 -37.94 1.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.524 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.3 p -140.82 128.9 22.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.905 0.384 . . . . 0.0 110.885 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 t -156.43 147.6 22.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.825 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.91 130.11 10.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.514 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -169.26 135.32 1.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 0.0 110.827 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.3 p -135.47 171.58 14.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.15 95.98 2.38 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.453 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -133.18 146.33 60.56 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.591 0.71 . . . . 0.0 110.908 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 159.2 54.29 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.735 2.29 . . . . 0.0 112.343 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -121.43 150.53 41.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 85.4 mtt-85 -147.7 137.01 11.86 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.56 0.695 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -50.77 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.673 2.248 . . . . 0.0 112.381 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.3 tpp180 -42.25 142.54 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.59 115.63 20.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -136.69 -158.05 7.9 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.485 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 1.73 4.21 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.642 2.228 . . . . 0.0 112.287 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -91.7 -43.83 9.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.853 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -55.93 -48.9 74.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.416 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -73.07 -43.56 61.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.941 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.96 -17.06 34.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -86.9 -3.64 59.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.76 0.314 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.408 HD12 HD23 ' A' ' 48' ' ' LEU . 49.5 mt -87.41 -56.88 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 23' ' ' LEU . 16.8 mt -105.56 38.26 2.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -62.22 113.34 2.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.17 29.51 14.7 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 27' ' ' VAL . 95.8 t -120.23 153.07 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.89 0.376 . . . . 0.0 111.108 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.419 ' N ' HG12 ' A' ' 26' ' ' VAL . 48.0 t -132.33 127.87 57.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.076 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.4 m -117.78 153.93 19.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 63.1 t -125.73 129.91 72.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.758 HD12 ' CE1' ' A' ' 52' ' ' TYR . 82.6 mt -84.09 128.67 34.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 82.5 p -147.87 126.84 12.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 73.39 42.91 39.97 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.619 ' CE1' ' HB2' ' A' ' 66' ' ' ALA . 41.3 m-85 -128.48 152.62 48.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.331 . . . . 0.0 110.881 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -139.78 142.82 36.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.941 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.507 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.4 OUTLIER -66.08 160.48 63.48 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.603 0.716 . . . . 0.0 110.911 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.8 Cg_endo -69.77 -33.43 3.42 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.385 -0.055 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.675 ' CZ ' HD12 ' A' ' 41' ' ' LEU . 75.4 t80 -35.37 -53.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 37' ' ' PHE . 10.0 ttt180 -36.77 -50.12 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.2 m -72.94 -36.91 67.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 37' ' ' PHE . 40.9 tt0 -54.48 -51.77 64.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.675 HD12 ' CZ ' ' A' ' 37' ' ' PHE . 1.7 tt -60.66 -60.78 3.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.624 ' HB2' HD11 ' A' ' 30' ' ' LEU . 19.3 ttt-85 -39.8 -59.12 1.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.402 ' HA ' HD12 ' A' ' 46' ' ' LEU . 38.4 t0 -47.24 -49.92 22.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -60.09 -47.93 83.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.67 -38.09 74.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.072 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 43' ' ' ASP . 71.0 mt -62.83 -45.22 93.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -48.26 -54.19 14.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.408 HD23 HD12 ' A' ' 22' ' ' ILE . 24.2 mt -50.72 -18.51 0.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 100.84 20.35 14.67 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.443 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.18 144.51 26.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 0.0 111.105 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -85.15 139.7 31.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.758 ' CE1' HD12 ' A' ' 30' ' ' LEU . 6.2 t80 -101.19 118.23 36.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -108.17 143.85 28.23 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.614 0.721 . . . . 0.0 110.843 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -11.47 30.91 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.654 2.236 . . . . 0.0 112.323 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -168.13 172.6 8.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.571 ' CE2' HG13 ' A' ' 76' ' ' VAL . 67.8 t-105 -67.08 113.05 4.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.419 ' OG1' ' N ' ' A' ' 58' ' ' ARG . 0.1 OUTLIER -117.44 169.73 9.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.159 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.419 ' N ' ' OG1' ' A' ' 57' ' ' THR . 47.8 mmm-85 -66.47 -16.44 64.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -92.46 -3.22 55.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.6 m -83.44 128.24 34.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.839 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 81.1 p -104.38 -34.56 8.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.14 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 44.4 m80 -130.26 152.72 49.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.554 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.528 HD12 ' N ' ' A' ' 64' ' ' ILE . 3.4 tp -121.07 137.46 54.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.528 ' N ' HD12 ' A' ' 63' ' ' LEU . 22.1 mm -104.38 95.78 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.0 t -100.58 131.67 46.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.619 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . . . -68.0 -33.33 74.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.103 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -166.77 160.62 14.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.66 -178.5 2.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.117 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 63.44 42.23 6.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.2 p -122.02 158.72 54.29 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.555 0.693 . . . . 0.0 111.162 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -19.29 36.0 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.689 2.259 . . . . 0.0 112.359 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -95.28 -21.34 18.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -76.12 -42.8 45.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.1 t -79.07 -22.18 45.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -73.36 -49.13 28.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.571 HG13 ' CE2' ' A' ' 56' ' ' TRP . 43.2 t -78.39 -14.85 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.56 ' CA ' HD11 ' A' ' 83' ' ' ILE . 26.4 tp -73.89 -33.38 64.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -81.31 -29.26 41.23 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.47 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 76' ' ' VAL . 41.4 mt -65.73 -47.43 75.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.824 0.345 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 122.41 17.96 3.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -82.89 169.77 48.91 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.529 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.52 ' NE ' HD21 ' A' ' 105' ' ' LEU . 3.3 tpm_? -88.47 99.24 12.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.781 0.324 . . . . 0.0 110.885 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.56 HD11 ' CA ' ' A' ' 77' ' ' LEU . 27.4 mt -87.5 120.05 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.439 HG11 ' HB2' ' A' ' 101' ' ' SER . 7.9 m -136.25 149.75 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.104 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 31.7 mtt-85 -59.2 -176.91 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.561 ' HB2' HD11 ' A' ' 41' ' ' LEU . 14.4 pttp -89.06 -9.06 52.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 88' ' ' TRP . 55.7 mm-40 -68.24 -42.83 79.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.424 ' C ' ' O ' ' A' ' 87' ' ' GLU . 34.6 t90 -36.25 -71.24 0.07 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.753 HG13 ' H ' ' A' ' 90' ' ' LEU . 1.3 p -47.51 -65.81 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.753 ' H ' HG13 ' A' ' 89' ' ' VAL . 90.5 mt -35.1 -59.4 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -52.99 -43.33 66.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 89' ' ' VAL . 71.9 m -58.57 -42.72 88.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -71.46 -38.04 71.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.546 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -59.48 -52.7 64.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 21.7 mtm -89.85 -4.09 57.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 46.77 44.61 14.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -147.19 156.47 42.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -69.51 113.16 6.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 65.1 mt -105.05 150.21 38.49 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.59 0.71 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 121.05 7.73 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.659 2.239 . . . . 0.0 112.331 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.439 ' HB2' HG11 ' A' ' 84' ' ' VAL . 92.2 p -80.16 -12.21 59.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -63.75 -28.18 69.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 66.2 mtt85 -82.26 -18.11 43.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -99.88 3.4 44.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.93 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.52 HD21 ' NE ' ' A' ' 82' ' ' ARG . 13.7 mt -50.26 131.09 23.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.5 mmt -87.43 -56.13 3.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.475 ' CB ' HD13 ' A' ' 77' ' ' LEU . . . -109.64 179.81 4.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.79 144.03 0.76 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.457 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -47.59 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.697 2.265 . . . . 0.0 112.353 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 112' ' ' SER . . . -175.63 143.25 6.53 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 89.8 p -57.43 80.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.88 0.371 . . . . 0.0 110.831 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 110' ' ' GLY . 88.7 p -112.58 -47.76 3.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.841 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 58.6 m -41.01 -54.32 2.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.899 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -120.05 90.15 3.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.854 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -78.51 148.13 33.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -94.82 152.6 18.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -79.83 -33.66 40.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.544 ' HB1' ' CE1' ' A' ' 120' ' ' HIS . . . -172.85 137.85 0.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 63.1 p -49.93 -20.5 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.544 ' CE1' ' HB1' ' A' ' 118' ' ' ALA . 46.5 p-80 -102.89 100.26 10.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.617 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 40.7 t -66.54 90.11 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.837 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -124.17 128.08 6.69 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -170.2 -55.52 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.432 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 12.4 m -64.67 -57.76 8.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.922 0.391 . . . . 0.0 110.902 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 157.73 -160.66 30.85 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.529 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 135.93 31.58 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.663 2.242 . . . . 0.0 112.33 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 42.0 p -135.88 126.27 26.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 6.2 t -108.86 148.27 30.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.469 179.976 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 p -156.93 138.49 14.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.874 0.369 . . . . 0.0 110.846 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.6 p -139.37 169.46 17.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.34 83.5 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 t -166.48 119.11 1.03 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.872 0.368 . . . . 0.0 110.88 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.9 p -136.76 144.77 43.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.53 108.91 0.93 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.451 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -124.69 146.69 53.59 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.65 0.738 . . . . 0.0 110.843 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 82.83 0.72 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.699 2.266 . . . . 0.0 112.39 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.9 ttt85 -91.76 27.83 1.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.471 ' CG ' ' HD2' ' A' ' 12' ' ' PRO . 46.4 ttm-85 -51.75 139.57 30.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.608 0.718 . . . . 0.0 110.893 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.471 ' HD2' ' CG ' ' A' ' 11' ' ' ARG . 53.4 Cg_endo -69.79 -50.74 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.709 2.272 . . . . 0.0 112.318 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -97.34 129.89 44.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.49 150.31 48.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -133.86 -158.52 8.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.55 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 2.19 3.74 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.667 2.245 . . . . 0.0 112.338 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -82.43 -54.2 5.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -53.01 -34.44 56.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.704 HD22 ' HB3' ' A' ' 47' ' ' GLU . 7.1 mp -81.89 -30.98 31.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.04 -7.75 14.15 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm -103.37 5.24 37.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.789 0.328 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.1 mt -90.79 -58.46 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 28.5 mt -107.95 43.55 1.2 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.7 tp60 -70.34 113.26 7.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.08 26.11 13.12 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.0 t -117.47 147.69 20.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.914 0.388 . . . . 0.0 111.112 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.647 HG11 ' OD1' ' A' ' 59' ' ' ASP . 90.9 t -124.54 108.34 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.4 m -103.23 153.3 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.4 t -130.44 127.67 62.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.645 HD22 HD23 ' A' ' 41' ' ' LEU . 57.3 mt -82.13 126.48 32.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.959 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.6 p -151.42 124.64 8.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.12 28.26 18.37 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.493 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -121.66 161.74 21.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.766 0.317 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -135.72 121.28 19.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.522 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 1.3 p-10 -50.62 154.16 2.44 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.573 0.702 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.4 Cg_endo -69.85 -15.01 12.69 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.355 -0.02 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 36' ' ' PRO . 3.5 t80 -36.08 -63.37 0.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.45 ' CG ' ' N ' ' A' ' 39' ' ' SER . 16.8 ptt180 -45.0 -45.26 10.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.45 ' N ' ' CG ' ' A' ' 38' ' ' ARG . 1.8 t -61.3 -57.52 12.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -52.24 -55.68 19.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.645 HD23 HD22 ' A' ' 30' ' ' LEU . 37.8 tp -50.11 -37.11 32.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.439 ' HB2' HD11 ' A' ' 30' ' ' LEU . 21.3 ttm180 -68.61 -49.58 58.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -46.69 -48.02 20.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -67.18 -43.23 82.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.11 -32.04 53.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 26.4 mt -76.28 -45.99 29.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.704 ' HB3' HD22 ' A' ' 19' ' ' LEU . 1.4 mp0 -48.64 -40.56 28.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.0 mt -67.78 -24.52 65.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.99 15.02 17.43 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.53 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.24 151.57 20.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 111.106 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.3 mttp -89.84 142.61 27.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.926 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -110.3 119.92 40.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.606 ' HD3' HG21 ' A' ' 57' ' ' THR . 4.1 mmp_? -117.94 144.05 33.86 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.624 0.726 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -25.82 28.21 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.658 2.239 . . . . 0.0 112.337 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.407 ' CG ' ' N ' ' A' ' 56' ' ' TRP . 3.2 t70 -144.79 163.04 35.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.856 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.546 ' CZ3' ' HB3' ' A' ' 60' ' ' SER . 69.0 t-105 -54.54 109.96 0.57 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.606 HG21 ' HD3' ' A' ' 53' ' ' ARG . 69.2 p -97.67 160.58 14.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.143 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.7 tpt85 -65.62 -18.89 65.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.647 ' OD1' HG11 ' A' ' 27' ' ' VAL . 2.0 p30 -93.84 -2.05 54.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.546 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 67.1 m -60.96 122.15 14.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.458 ' HB ' ' CE1' ' A' ' 62' ' ' HIS . 33.2 p -104.45 -31.4 9.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.458 ' CE1' ' HB ' ' A' ' 61' ' ' THR . 3.7 m80 -144.14 136.05 26.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.591 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.63 HD22 HG21 ' A' ' 76' ' ' VAL . 11.5 tp -104.4 130.45 52.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.949 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.6 mm -96.77 91.38 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 22.7 t -90.26 158.98 16.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.95 -38.07 8.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.13 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -157.38 145.51 19.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.64 -179.47 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 63.54 35.17 12.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.37 158.98 34.66 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.597 0.713 . . . . 0.0 111.147 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -31.21 20.96 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.663 2.242 . . . . 0.0 112.331 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -82.86 -26.24 31.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.582 ' CD1' HG21 ' A' ' 83' ' ' ILE . 75.4 t80 -63.19 -58.58 6.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 27.5 t -59.66 -34.54 72.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.835 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -56.91 -52.24 65.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.63 HG21 HD22 ' A' ' 63' ' ' LEU . 40.2 t -77.19 -14.98 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.176 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.523 HD12 ' CE2' ' A' ' 73' ' ' TYR . 1.5 tt -70.99 -52.49 19.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.939 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.38 -37.89 80.1 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.516 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 32.1 mt -56.4 -51.07 69.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 0.0 110.936 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 129.37 12.25 2.58 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.498 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -74.95 160.97 53.14 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -89.18 99.07 12.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.739 0.304 . . . . 0.0 110.9 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.582 HG21 ' CD1' ' A' ' 73' ' ' TYR . 11.1 mt -87.0 123.67 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.4 m -139.42 172.01 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.446 ' CZ ' ' HB3' ' A' ' 85' ' ' ARG . 2.7 mmm180 -75.15 175.74 7.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -84.27 -32.03 24.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -44.55 -30.7 0.94 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.445 ' CE2' ' OG ' ' A' ' 101' ' ' SER . 24.0 t90 -49.08 -58.65 4.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 42.7 t -62.05 -57.68 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 33.1 mt -45.21 -69.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -50.19 -43.72 52.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 2.3 m -55.06 -44.43 74.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 96' ' ' ARG . 22.6 t60 -74.45 -62.11 1.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.602 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -40.62 -35.39 0.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 7.4 mtm -101.93 -15.74 16.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 93' ' ' HIS . 13.0 mtm-85 55.64 44.28 26.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -139.72 170.05 16.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 25.9 ttt-85 -94.31 103.52 15.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 43.9 mt -90.69 148.26 38.11 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.605 0.717 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 104.78 1.37 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.693 2.262 . . . . 0.0 112.343 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.445 ' OG ' ' CE2' ' A' ' 88' ' ' TRP . 60.0 m -64.16 -15.41 59.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -66.51 -11.48 52.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -94.86 -15.11 23.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -107.0 0.8 23.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 23.2 mt -49.21 114.84 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 28.5 mtp -85.09 -52.31 6.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -82.57 166.81 18.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.062 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 65.85 147.55 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -26.14 27.95 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.699 2.266 . . . . 0.0 112.361 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 160.38 111.08 0.28 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.476 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.4 m -80.3 87.57 5.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.369 . . . . 0.0 110.84 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.7 m -103.93 78.05 1.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.877 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 57.4 m 61.66 39.99 13.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.848 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -115.0 93.26 4.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -101.75 167.98 9.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -119.23 151.63 38.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -72.72 -44.47 61.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -171.66 117.08 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 56.8 m -68.51 135.33 51.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -105.95 102.75 12.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.595 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 69.5 p -80.39 -52.19 7.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.892 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 108.64 -101.26 1.52 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -95.97 177.97 34.4 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.54 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.4 m -158.83 177.18 11.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.906 0.384 . . . . 0.0 110.893 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 85.8 146.67 9.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.482 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 109.63 2.36 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.634 2.222 . . . . 0.0 112.341 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 45.7 t -135.86 134.21 38.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.822 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 14.7 m 39.34 42.19 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 -179.973 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 t -39.96 -60.53 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.861 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m 61.57 41.58 12.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.845 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.35 101.36 0.6 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.0 m -107.65 156.63 18.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.892 0.377 . . . . 0.0 110.844 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -124.67 129.4 50.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.95 -128.8 2.97 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -143.71 148.83 44.52 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.627 0.727 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -174.41 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.69 2.26 . . . . 0.0 112.336 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.6 ttt-85 66.66 40.16 3.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -136.28 151.68 73.75 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.623 0.725 . . . . 0.0 110.833 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -26.07 27.77 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.655 2.237 . . . . 0.0 112.384 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -75.03 142.81 43.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -110.06 39.26 2.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.64 146.29 0.91 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -0.55 7.1 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.682 2.254 . . . . 0.0 112.333 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.514 ' CD ' ' N ' ' A' ' 18' ' ' GLU . 0.2 OUTLIER -62.9 -65.96 0.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.514 ' N ' ' CD ' ' A' ' 17' ' ' GLU . 3.7 tp10 -53.44 -50.26 65.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.526 HD13 ' CD1' ' A' ' 22' ' ' ILE . 4.6 mm? -59.7 -46.94 87.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.55 -14.92 51.92 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.506 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -92.83 8.97 37.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.756 0.312 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.526 ' CD1' HD13 ' A' ' 19' ' ' LEU . 46.8 mt -91.59 -56.91 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.0 mt -108.07 34.37 3.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -60.4 110.86 1.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.941 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.48 23.9 15.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.511 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 27' ' ' VAL . 57.7 t -119.49 152.85 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.37 . . . . 0.0 111.133 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.483 HG22 ' HE2' ' A' ' 51' ' ' LYS . 14.3 t -130.97 127.3 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.1 m -118.91 165.23 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 75.2 t -138.51 136.74 43.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.537 HD11 ' HB2' ' A' ' 42' ' ' ARG . 95.0 mt -88.98 117.41 27.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.3 t -131.2 108.41 9.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.82 49.75 3.5 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.493 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.653 ' CZ ' ' CD2' ' A' ' 41' ' ' LEU . 58.8 m-85 -129.17 156.55 43.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.77 0.319 . . . . 0.0 110.892 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -142.37 134.69 27.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.537 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 1.2 p30 -62.08 154.18 70.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.621 0.724 . . . . 0.0 110.855 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 54.3 Cg_endo -69.75 -29.42 5.71 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.733 -1.778 . . . . 0.0 112.346 -0.096 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.44 ' C ' ' O ' ' A' ' 36' ' ' PRO . 9.2 t80 -35.27 -58.41 0.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.5 ttt85 -42.45 -49.51 5.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.6 t -67.26 -60.48 2.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.819 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -43.44 -39.68 3.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.653 ' CD2' ' CZ ' ' A' ' 33' ' ' PHE . 33.8 tp -67.62 -53.24 29.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.537 ' HB2' HD11 ' A' ' 30' ' ' LEU . 24.6 ttt-85 -49.3 -48.64 46.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -49.33 -62.59 1.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.824 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -44.87 -48.77 11.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.408 ' HA ' HD12 ' A' ' 48' ' ' LEU . . . -54.93 -44.52 74.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.122 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 31.9 mt -64.79 -43.65 92.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.46 -44.94 73.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 45' ' ' ALA . 14.4 mt -60.39 -23.37 64.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.94 19.01 9.92 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.28 153.02 18.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.896 0.379 . . . . 0.0 111.101 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.483 ' HE2' HG22 ' A' ' 27' ' ' VAL . 3.1 mppt? -93.17 139.12 30.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -103.49 112.37 25.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.83 ' NH1' HG21 ' A' ' 57' ' ' THR . 18.2 mmt85 -104.3 145.21 30.23 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.597 0.713 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -33.13 17.16 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.351 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -137.44 163.57 30.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.687 ' CE2' HG13 ' A' ' 76' ' ' VAL . 76.1 t-105 -64.99 79.48 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.83 HG21 ' NH1' ' A' ' 53' ' ' ARG . 3.9 t -83.34 158.76 22.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.112 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -54.31 -22.23 11.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -79.41 -23.38 43.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 m -71.14 127.36 32.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 82.8 p -103.45 -47.18 4.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.148 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -109.82 149.98 29.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.588 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.566 ' HB2' ' CZ3' ' A' ' 56' ' ' TRP . 13.9 tp -120.17 116.15 25.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.7 mm -84.38 96.72 4.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 23.8 t -99.16 111.62 23.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.03 -42.25 60.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.088 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -157.61 147.39 20.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.28 -178.6 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.0 m120 69.01 32.68 3.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.7 p -112.14 156.28 42.18 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.594 0.711 . . . . 0.0 111.168 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -17.56 37.87 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.712 2.274 . . . . 0.0 112.377 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.2 mmtm -95.12 -23.25 17.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -72.78 -41.04 65.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.7 t -79.91 -18.35 50.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -79.4 -51.67 9.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.687 HG13 ' CE2' ' A' ' 56' ' ' TRP . 39.3 t -72.48 -14.96 17.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.412 HD13 ' HB3' ' A' ' 107' ' ' ALA . 33.6 tp -71.43 -43.57 66.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -74.32 -36.15 50.89 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.498 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 76' ' ' VAL . 17.9 mt -60.62 -41.5 94.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.812 0.339 . . . . 0.0 110.924 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 116.93 35.49 1.13 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -97.77 160.71 21.02 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.451 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.48 ' NE ' ' HA ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -84.71 99.06 10.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.778 0.323 . . . . 0.0 110.877 -179.864 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.634 HG22 ' SD ' ' A' ' 106' ' ' MET . 47.2 mt -89.36 110.7 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.155 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.434 HG12 ' O ' ' A' ' 104' ' ' TYR . 8.1 m -127.67 152.48 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.472 ' HG3' ' CG ' ' A' ' 106' ' ' MET . 18.1 mtt-85 -73.44 150.73 41.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.3 pttm -50.67 -26.61 5.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -46.52 -44.56 17.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 32.6 t90 -46.9 -47.4 21.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 86.3 t -69.22 -58.9 4.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.7 mt -44.0 -47.28 8.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -67.13 -51.57 52.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 44.8 m -47.07 -51.67 17.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -66.67 -52.14 48.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.571 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.472 ' CZ ' ' CG ' ' A' ' 95' ' ' MET . 3.9 tmm_? -42.91 -57.92 2.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.472 ' CG ' ' CZ ' ' A' ' 94' ' ' ARG . 8.2 mtm -83.23 -11.59 57.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 27.7 mtm-85 55.6 44.59 26.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -149.84 155.67 40.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -69.45 123.49 21.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 62.3 mt -112.99 150.24 42.57 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.641 0.734 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 111.7 2.88 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.635 2.223 . . . . 0.0 112.397 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 80.4 p -61.81 -28.72 69.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -50.35 -34.1 22.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 -76.41 -24.87 54.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.434 ' O ' HG12 ' A' ' 84' ' ' VAL . 33.8 m-85 -107.5 32.73 4.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.8 mt -82.01 126.97 32.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.634 ' SD ' HG22 ' A' ' 83' ' ' ILE . 19.2 mtp -81.85 -53.88 5.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.412 ' HB3' HD13 ' A' ' 77' ' ' LEU . . . -137.95 136.88 37.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.055 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 135.89 154.81 7.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -7.24 20.55 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.673 2.249 . . . . 0.0 112.357 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 132.75 -128.32 5.11 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.459 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 42.9 p -138.61 119.44 14.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.859 0.361 . . . . 0.0 110.884 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -106.11 -53.0 2.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.0 t -118.61 50.7 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -83.92 35.01 0.51 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -122.86 171.35 9.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.28 114.25 26.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.846 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 118' ' ' ALA . 11.1 pt-20 -84.43 -43.4 14.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.455 ' N ' ' HG3' ' A' ' 117' ' ' GLU . . . -169.87 110.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.057 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.0 t -90.89 148.78 22.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -112.54 179.94 3.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.644 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 26.8 t -103.96 103.09 12.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.85 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -68.43 -84.35 0.13 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 124.95 45.52 0.25 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.512 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 42.7 p -48.27 -54.14 14.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.917 0.389 . . . . 0.0 110.879 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 124.92 146.27 6.79 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.478 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 103.24 1.14 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.337 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.7 t -91.65 53.81 2.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.8 m 49.96 44.43 25.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.467 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.0 p -113.15 144.2 43.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.907 0.384 . . . . 0.0 110.84 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m -108.02 100.93 10.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.56 127.61 7.94 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.514 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.5 p -152.62 161.73 42.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.897 0.379 . . . . 0.0 110.829 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.9 m -95.83 -54.59 3.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.75 77.71 0.18 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.481 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -117.22 89.54 31.17 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.615 0.722 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 154.98 67.19 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.711 2.274 . . . . 0.0 112.348 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 57.6 mtm180 -93.59 104.9 16.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.835 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.479 ' CG ' ' HD2' ' A' ' 12' ' ' PRO . 23.4 ttm-85 -154.11 139.56 12.08 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.645 0.736 . . . . 0.0 110.869 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.479 ' HD2' ' CG ' ' A' ' 11' ' ' ARG . 53.8 Cg_endo -69.77 -15.23 36.97 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.717 2.278 . . . . 0.0 112.33 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -81.43 158.56 24.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.17 35.1 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.53 146.11 0.33 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.509 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -0.84 7.44 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.69 2.26 . . . . 0.0 112.394 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 20' ' ' GLY . 16.0 tt0 -93.0 -61.0 1.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 17' ' ' GLU . 14.4 mm-40 -34.64 -38.88 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.67 HD13 HD12 ' A' ' 22' ' ' ILE . 4.4 mm? -84.17 -41.85 16.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -57.82 -19.01 34.71 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.513 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -89.66 4.77 48.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.748 0.309 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.67 HD12 HD13 ' A' ' 19' ' ' LEU . 54.2 mt -93.39 -58.09 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.142 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.2 mt -110.88 41.94 1.71 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.954 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -68.08 105.02 1.92 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.956 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.6 29.89 5.15 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 99.8 t -125.48 147.85 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.891 0.377 . . . . 0.0 111.116 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.899 HG22 ' HB3' ' A' ' 51' ' ' LYS . 96.6 t -128.61 115.09 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.478 ' CG1' HD11 ' A' ' 64' ' ' ILE . 16.5 m -103.59 163.99 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.7 t -139.54 131.47 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.646 HD22 HD23 ' A' ' 41' ' ' LEU . 66.5 mt -87.33 117.37 26.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.1 t -143.06 112.38 6.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.85 34.86 6.05 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.424 ' CE1' ' HB2' ' A' ' 66' ' ' ALA . 28.8 m-85 -126.53 153.52 45.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.341 . . . . 0.0 110.863 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -119.02 151.52 38.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.493 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.4 OUTLIER -88.75 162.85 37.45 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.595 0.712 . . . . 0.0 110.903 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.513 ' O ' ' C ' ' A' ' 37' ' ' PHE . 53.4 Cg_endo -69.76 -26.62 7.29 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.307 -0.06 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.513 ' C ' ' O ' ' A' ' 36' ' ' PRO . 7.5 t80 -29.17 -50.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 -49.15 -59.46 3.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.7 p -55.47 -37.6 67.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -61.98 -43.05 99.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.895 HD11 HG11 ' A' ' 89' ' ' VAL . 15.7 tp -60.86 -51.16 70.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -47.08 -51.74 16.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -49.36 -54.21 18.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 54.4 mttt -56.13 -42.75 77.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.496 ' HB2' HG21 ' A' ' 89' ' ' VAL . . . -65.41 -35.83 82.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 87.9 mt -66.18 -45.83 79.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.448 ' C ' ' HB3' ' A' ' 19' ' ' LEU . 3.4 mm-40 -49.59 -54.18 19.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.931 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 45' ' ' ALA . 5.7 mt -53.19 -15.26 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 97.27 12.88 47.28 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.495 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.76 157.14 24.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 111.107 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.899 ' HB3' HG22 ' A' ' 27' ' ' VAL . 13.8 tppt? -91.1 155.3 18.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.452 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 6.6 t80 -122.36 117.07 25.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -120.03 143.29 35.08 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.644 0.735 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -23.2 31.2 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.742 2.294 . . . . 0.0 112.35 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -150.35 158.29 43.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.639 ' CE2' HG13 ' A' ' 76' ' ' VAL . 67.5 t-105 -60.65 120.49 10.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.434 HG23 ' H ' ' A' ' 59' ' ' ASP . 5.0 t -125.68 179.63 5.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.422 ' N ' ' OG1' ' A' ' 57' ' ' THR . 37.5 ttt85 -65.81 -15.48 62.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.434 ' H ' HG23 ' A' ' 57' ' ' THR . 9.5 t0 -91.56 -16.73 26.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.548 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 3.4 m -71.03 120.51 16.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 80.7 p -101.62 -39.08 7.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 28.3 m80 -129.81 140.92 50.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.613 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.766 HD22 HG21 ' A' ' 76' ' ' VAL . 10.6 tp -107.79 120.91 43.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.515 HG21 HD21 ' A' ' 41' ' ' LEU . 9.3 mm -81.29 90.37 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 43.3 t -94.81 161.18 14.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.424 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . . . -101.05 -38.03 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -160.67 153.9 21.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.86 -177.42 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.074 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 59.79 41.84 17.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.1 p -118.26 158.64 46.04 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.586 0.708 . . . . 0.0 111.124 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -29.66 23.55 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.658 2.239 . . . . 0.0 112.34 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.424 ' O ' HG23 ' A' ' 76' ' ' VAL . 24.8 tptt -86.02 -28.21 24.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.719 ' CD2' HG21 ' A' ' 83' ' ' ILE . 16.3 t80 -61.4 -58.87 6.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.3 t -56.96 -50.04 73.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -47.89 -64.5 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.766 HG21 HD22 ' A' ' 63' ' ' LEU . 40.1 t -59.63 -14.92 7.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.619 HD12 ' CE1' ' A' ' 73' ' ' TYR . 3.7 tt -76.51 -56.82 4.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.34 -35.32 90.06 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.523 HD13 ' CD1' ' A' ' 56' ' ' TRP . 25.9 mt -55.93 -39.21 71.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.822 0.344 . . . . 0.0 110.897 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 115.94 36.21 1.17 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.86 172.37 15.79 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.464 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 13.7 ttm-85 -98.06 101.23 12.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 0.0 110.884 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.719 HG21 ' CD2' ' A' ' 73' ' ' TYR . 21.6 mt -82.61 114.21 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.846 HG12 ' HA ' ' A' ' 105' ' ' LEU . 12.5 m -125.19 168.09 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.447 ' HD2' ' CG ' ' A' ' 106' ' ' MET . 0.4 OUTLIER -81.8 175.63 10.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.435 ' HD2' HD11 ' A' ' 90' ' ' LEU . 16.9 pttp -80.5 -12.45 59.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -70.25 -34.3 72.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 46.0 t90 -49.55 -70.93 0.07 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.895 HG11 HD11 ' A' ' 41' ' ' LEU . 9.3 p -58.11 -50.46 78.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.157 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.63 ' N ' HG13 ' A' ' 89' ' ' VAL . 56.6 mt -47.7 -42.73 25.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -73.83 -56.71 4.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.835 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 13.8 m -38.29 -41.27 0.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -73.52 -57.02 4.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.621 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -42.45 -53.26 4.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 6.7 mtt -83.66 -19.58 35.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 33.1 mtm180 61.54 42.35 11.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 97' ' ' ARG . 3.0 ptp180 -142.13 165.11 28.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -85.12 120.33 26.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 46.3 mt -112.18 152.35 44.34 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.632 0.73 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 99.23 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.705 2.27 . . . . 0.0 112.337 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 105' ' ' LEU . 20.2 p -49.94 -29.63 8.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.778 ' HA ' HD23 ' A' ' 105' ' ' LEU . 15.1 tm0? -52.91 -43.06 65.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 40.0 mtp180 -72.81 -7.53 51.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -120.78 -4.9 9.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.846 ' HA ' HG12 ' A' ' 84' ' ' VAL . 0.3 OUTLIER -89.11 126.47 35.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.447 ' CG ' ' HD2' ' A' ' 85' ' ' ARG . 23.3 mtm -75.22 -58.37 3.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.553 ' O ' HD13 ' A' ' 105' ' ' LEU . . . -121.92 162.28 21.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.121 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 154.86 168.4 18.08 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.473 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -26.25 27.83 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.712 2.275 . . . . 0.0 112.387 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.11 128.7 3.27 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.5 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.1 m -88.07 39.29 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.913 0.387 . . . . 0.0 110.85 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.3 m -75.4 -56.7 4.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.828 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 77.3 p -97.22 51.21 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -86.0 39.53 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -78.68 179.65 7.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.82 120.93 42.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -85.47 -45.3 11.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -103.08 98.54 8.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.13 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.3 t -93.78 40.76 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -143.33 168.56 19.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.618 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 21.6 t -74.55 85.7 2.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.856 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -102.35 -149.99 22.46 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.466 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 150.83 166.6 13.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.503 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 57.9 p -97.54 80.29 2.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.37 . . . . 0.0 110.846 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -71.74 -159.06 3.73 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 137.34 35.25 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.668 2.246 . . . . 0.0 112.367 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.0 m -122.58 138.36 54.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.818 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 20.5 p -103.97 -60.11 1.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.844 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.479 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.0 m -112.27 106.8 15.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.875 0.369 . . . . 0.0 110.839 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.3 t -127.77 117.44 21.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.02 89.51 1.72 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.462 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 m -74.24 163.4 27.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.889 0.376 . . . . 0.0 110.825 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.0 p -131.09 104.71 7.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.846 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.85 -171.25 43.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -119.91 80.11 25.36 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.588 0.709 . . . . 0.0 110.865 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 4.88 1.93 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.689 2.26 . . . . 0.0 112.349 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.7 ttt-85 -67.9 138.77 56.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -140.04 145.13 40.86 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.615 0.721 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -21.18 34.01 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.331 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -66.59 122.53 17.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.1 -176.49 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.062 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 155.1 -158.17 28.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 2.2 3.71 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.691 2.26 . . . . 0.0 112.378 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -94.88 -52.11 4.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -56.85 -33.35 66.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.775 HD12 HD23 ' A' ' 48' ' ' LEU . 4.4 mm? -75.89 -43.21 46.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.65 -20.8 53.29 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -84.17 0.85 47.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.776 0.322 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.544 HD12 HD13 ' A' ' 19' ' ' LEU . 59.1 mt -88.56 -57.31 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.7 mt -111.28 42.92 1.57 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.6 tp60 -63.76 118.15 7.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.62 34.44 16.15 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.532 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.6 t -123.65 147.33 28.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.348 . . . . 0.0 111.14 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.0 t -124.62 118.79 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.589 HG21 ' HB1' ' A' ' 45' ' ' ALA . 4.3 m -108.61 139.63 30.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.5 t -116.14 123.27 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.107 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.488 HD22 HD23 ' A' ' 41' ' ' LEU . 84.4 mt -83.33 129.6 35.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.2 m -153.7 105.7 2.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.48 33.24 3.42 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.539 ' CZ ' ' CD2' ' A' ' 41' ' ' LEU . 72.4 m-85 -123.0 154.76 38.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.796 0.331 . . . . 0.0 110.851 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -136.77 121.01 17.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.949 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.539 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 1.4 p-10 -50.75 154.23 2.49 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.659 0.743 . . . . 0.0 110.847 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.9 Cg_endo -69.75 -25.35 8.07 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.328 -0.095 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' PRO . 20.7 t80 -37.97 -53.44 1.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.3 ttt85 -50.05 -61.38 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.9 p -54.35 -56.7 15.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -46.99 -38.55 10.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.539 ' CD2' ' CZ ' ' A' ' 33' ' ' PHE . 34.4 tp -66.59 -44.98 80.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -53.07 -60.9 2.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.598 ' HA ' HD12 ' A' ' 46' ' ' LEU . 2.7 t70 -40.89 -58.0 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -50.19 -46.6 54.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.589 ' HB1' HG21 ' A' ' 28' ' ' VAL . . . -60.14 -33.35 72.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.121 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.598 HD12 ' HA ' ' A' ' 43' ' ' ASP . 45.4 mt -68.84 -45.15 71.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.422 ' C ' ' HB3' ' A' ' 19' ' ' LEU . 6.1 mm-40 -50.66 -53.8 28.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.775 HD23 HD12 ' A' ' 19' ' ' LEU . 28.9 mt -53.64 -18.49 3.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.65 19.35 22.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.507 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.5 143.17 27.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.87 0.367 . . . . 0.0 111.123 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.87 133.24 33.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.403 ' CE1' HD12 ' A' ' 30' ' ' LEU . 3.7 t80 -99.51 115.75 30.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -108.44 143.97 28.56 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.621 0.724 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -22.43 31.97 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.694 2.263 . . . . 0.0 112.332 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -153.47 158.81 41.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.503 ' CZ2' HG13 ' A' ' 76' ' ' VAL . 64.2 t-105 -60.32 131.47 50.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.6 t -137.08 172.69 12.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 -65.24 -11.03 36.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -96.06 -14.22 23.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.2 m -72.78 131.58 42.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 38.1 p -107.29 -45.85 4.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.18 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.417 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 38.7 m80 -120.89 165.22 15.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.608 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.606 HD23 HG23 ' A' ' 83' ' ' ILE . 7.2 tp -131.23 129.62 41.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.96 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 22.1 mm -96.55 90.87 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 34.2 t -93.28 140.87 29.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.83 -35.35 32.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -162.0 155.06 20.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.36 -179.34 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 65.15 33.91 9.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.94 158.51 33.35 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.624 0.726 . . . . 0.0 111.129 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -24.59 29.59 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.662 2.241 . . . . 0.0 112.35 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -90.06 -21.94 22.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -67.81 -39.22 83.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.5 m -82.96 -11.82 57.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 16.5 tp60 -85.16 -50.1 7.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.503 HG13 ' CZ2' ' A' ' 56' ' ' TRP . 40.1 t -75.6 -14.96 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.524 ' CA ' HD11 ' A' ' 83' ' ' ILE . 50.5 tp -72.82 -49.93 27.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.9 -41.05 95.65 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.409 HD13 ' CD1' ' A' ' 56' ' ' TRP . 23.0 mt -55.65 -47.62 76.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.825 0.345 . . . . 0.0 110.914 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 120.74 24.48 2.56 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.457 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -88.96 159.11 28.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.459 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.793 ' HD2' HD21 ' A' ' 105' ' ' LEU . 21.2 tpp180 -79.52 100.07 7.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.788 0.327 . . . . 0.0 110.889 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.606 HG23 HD23 ' A' ' 63' ' ' LEU . 23.0 mt -88.34 114.21 26.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.116 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 11.7 m -130.25 162.76 37.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.112 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -76.99 -176.57 4.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -83.01 -35.59 25.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -43.48 -24.39 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.449 ' CE2' ' HB3' ' A' ' 101' ' ' SER . 23.5 t90 -60.82 -53.22 60.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 82.1 t -66.17 -54.46 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.157 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 48.2 mt -47.49 -55.85 8.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -58.39 -45.7 87.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.483 ' O ' ' N ' ' A' ' 96' ' ' ARG . 9.6 m -54.95 -60.15 3.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -56.49 -53.68 54.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.614 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -44.53 -59.09 2.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.402 ' CB ' ' HG2' ' A' ' 97' ' ' ARG . 26.4 mtm -83.44 -1.7 54.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 92' ' ' CYS . 90.6 mtt180 44.62 44.81 7.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.402 ' HG2' ' CB ' ' A' ' 95' ' ' MET . 13.8 ptp180 -141.53 157.52 45.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 43.3 ttt85 -79.78 107.27 12.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 50.5 mt -97.1 151.57 37.79 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.654 0.74 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 107.99 1.98 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.681 2.254 . . . . 0.0 112.342 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.449 ' HB3' ' CE2' ' A' ' 88' ' ' TRP . 70.4 p -67.98 -10.49 53.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -69.94 -28.14 65.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -81.08 -2.82 49.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -119.76 21.04 12.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.793 HD21 ' HD2' ' A' ' 82' ' ' ARG . 24.6 mt -71.27 132.74 45.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.949 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.3 mtt -89.66 -55.85 3.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.444 ' HB3' HD13 ' A' ' 77' ' ' LEU . . . -128.13 4.91 5.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.121 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.551 ' HA3' HD22 ' A' ' 105' ' ' LEU . . . -78.5 146.19 29.89 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 110' ' ' GLY . 53.6 Cg_endo -69.73 -24.76 29.44 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.689 2.259 . . . . 0.0 112.357 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.524 ' HA3' HD11 ' A' ' 105' ' ' LEU . . . -34.66 131.14 0.54 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.9 m -141.15 -179.48 6.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.901 0.381 . . . . 0.0 110.864 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 113' ' ' SER . 22.6 t -40.8 104.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 112' ' ' SER . 46.9 m 34.56 38.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -105.18 35.46 2.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -140.59 175.78 9.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -92.71 15.85 13.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 118' ' ' ALA . 13.4 tt0 -49.22 -17.76 0.27 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 117' ' ' GLU . . . -35.15 -37.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 25.0 m -77.06 113.33 14.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.837 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -91.26 -59.12 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.531 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.0 t -155.48 172.98 17.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.853 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -124.1 95.93 0.52 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 79.19 53.1 4.58 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.481 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.5 t -96.91 146.82 24.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.922 0.391 . . . . 0.0 110.819 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 128.57 81.46 0.3 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.484 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 98.34 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.681 2.254 . . . . 0.0 112.327 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.3 m -156.0 -179.32 8.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 7.6 m -84.72 119.71 25.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.448 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -161.25 144.26 12.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 110.829 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -170.83 164.85 7.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.841 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.93 96.36 1.38 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -173.59 110.17 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.91 0.386 . . . . 0.0 110.854 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.9 t -170.91 156.1 4.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.81 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.52 70.28 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.497 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -111.61 83.73 4.63 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.625 0.726 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 172.58 12.38 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.665 2.243 . . . . 0.0 112.397 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.73 166.54 4.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.909 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.448 ' N ' ' HD2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -162.37 143.41 7.9 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.622 0.725 . . . . 0.0 110.827 -179.885 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -22.44 32.13 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.733 2.289 . . . . 0.0 112.342 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -53.39 148.17 9.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -107.8 83.22 1.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.62 -158.14 17.69 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 2.83 3.18 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.724 2.283 . . . . 0.0 112.305 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -80.18 -51.21 9.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -50.39 -47.04 56.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.472 HD13 ' CD1' ' A' ' 22' ' ' ILE . 4.6 mm? -74.54 -44.75 49.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.16 -18.51 35.06 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.451 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -86.54 1.37 51.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.724 0.297 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.472 ' CD1' HD13 ' A' ' 19' ' ' LEU . 59.2 mt -90.31 -58.37 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.415 ' CD1' HD13 ' A' ' 48' ' ' LEU . 16.7 mt -106.28 39.72 1.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.6 tp60 -64.59 110.52 2.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.81 31.08 7.96 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.52 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.406 HG21 HD22 ' A' ' 23' ' ' LEU . 85.8 t -121.89 145.64 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.874 0.369 . . . . 0.0 111.084 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.2 t -126.57 114.42 37.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.4 m -109.03 153.69 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.434 HG22 ' HB2' ' A' ' 53' ' ' ARG . 55.2 t -128.32 132.22 68.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.109 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 58.8 mt -83.41 126.15 32.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.6 p -146.8 110.16 4.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.56 42.15 5.22 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.433 ' CZ ' HG22 ' A' ' 64' ' ' ILE . 63.2 m-85 -129.31 156.94 43.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.877 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -142.88 134.07 25.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.531 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -57.44 153.97 25.73 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.636 0.731 . . . . 0.0 110.859 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.8 Cg_endo -69.76 -30.99 4.83 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.33 -0.053 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.449 ' C ' ' O ' ' A' ' 36' ' ' PRO . 15.3 t80 -34.5 -59.34 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -47.12 -48.76 22.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.0 m -63.85 -58.4 6.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -46.75 -56.64 5.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.92 HD11 HG11 ' A' ' 89' ' ' VAL . 20.0 tp -44.7 -55.74 5.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.56 ' HD3' ' CD2' ' A' ' 52' ' ' TYR . 13.9 ttm105 -51.5 -50.79 59.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.8 -52.04 35.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.46 ' HG2' ' ND1' ' A' ' 93' ' ' HIS . 62.6 mttt -60.86 -43.71 98.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.51 -39.91 85.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 68.2 mt -61.77 -48.51 80.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.443 ' C ' ' HB3' ' A' ' 19' ' ' LEU . 4.0 mm-40 -48.18 -52.28 21.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.456 HD23 HD12 ' A' ' 22' ' ' ILE . 35.2 mt -50.48 -24.29 3.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.34 20.78 10.6 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.549 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.41 153.07 18.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.348 . . . . 0.0 111.134 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.415 ' N ' ' HD3' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -91.6 141.74 28.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.56 ' CD2' ' HD3' ' A' ' 42' ' ' ARG . 3.4 t80 -106.98 125.47 51.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.955 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.529 ' HD2' HG21 ' A' ' 57' ' ' THR . 30.8 mmt180 -121.64 144.25 40.08 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.622 0.725 . . . . 0.0 110.829 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -37.83 8.58 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.675 2.25 . . . . 0.0 112.336 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -134.81 156.45 48.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.818 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.554 ' CZ3' ' HB3' ' A' ' 60' ' ' SER . 29.1 t-105 -46.84 125.88 7.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.529 HG21 ' HD2' ' A' ' 53' ' ' ARG . 25.2 p -117.8 166.99 11.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.144 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -70.1 -12.41 61.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.58 -2.14 31.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.554 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 2.3 m -66.92 118.43 10.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 71.3 p -97.97 -45.92 6.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -124.74 144.16 50.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.552 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.586 HD22 HG21 ' A' ' 76' ' ' VAL . 20.9 tp -112.16 116.84 31.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.433 HG22 ' CZ ' ' A' ' 33' ' ' PHE . 25.6 mm -83.87 92.53 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.17 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 47.8 t -96.98 133.71 41.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.18 -40.54 74.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -157.72 149.34 21.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.93 -179.18 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 64.3 45.92 3.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -121.65 158.85 53.0 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.539 0.685 . . . . 0.0 111.171 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -20.01 35.3 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.645 2.23 . . . . 0.0 112.346 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.419 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.2 tppp? -91.95 -33.68 14.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 73' ' ' TYR . 0.4 OUTLIER -62.84 -40.06 96.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.1 t -74.62 -35.02 62.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.817 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -65.94 -45.01 83.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.586 HG21 HD22 ' A' ' 63' ' ' LEU . 39.6 t -78.46 -15.04 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.576 ' CA ' HD11 ' A' ' 83' ' ' ILE . 49.6 tp -74.93 -40.49 60.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -75.09 -40.39 34.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.0 mt -55.9 -52.72 63.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 128.42 27.39 0.9 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.485 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -90.64 160.08 27.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.493 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.476 ' HA ' ' CZ ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -80.6 98.63 7.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.763 0.316 . . . . 0.0 110.82 -179.839 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.576 HD11 ' CA ' ' A' ' 77' ' ' LEU . 43.1 mt -85.46 108.96 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.084 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.793 HG11 ' OG ' ' A' ' 101' ' ' SER . 16.0 m -125.55 159.82 32.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 -73.36 -176.24 2.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.413 ' HA ' HG23 ' A' ' 64' ' ' ILE . 19.9 pttm -85.11 -33.55 22.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -47.05 -30.71 2.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 42.4 t90 -53.17 -69.1 0.12 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.95 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.92 HG11 HD11 ' A' ' 41' ' ' LEU . 9.0 p -61.92 -51.41 72.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.101 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.638 ' N ' HG13 ' A' ' 89' ' ' VAL . 57.7 mt -44.95 -49.76 10.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -71.92 -49.2 39.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.814 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 19.5 m -41.97 -44.49 3.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.46 ' ND1' ' HG2' ' A' ' 44' ' ' LYS . 48.5 t-80 -69.25 -60.99 1.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.602 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.2 tpm_? -39.95 -60.52 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 7.0 mtm -74.13 -13.8 60.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 93' ' ' HIS . 59.3 mtt85 55.28 42.27 30.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -141.94 165.77 26.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 58.5 ttt-85 -90.22 111.65 22.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 64.9 mt -97.32 147.94 33.7 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.65 0.738 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 117.71 5.24 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.717 2.278 . . . . 0.0 112.361 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.793 ' OG ' HG11 ' A' ' 84' ' ' VAL . 5.1 t -63.61 -28.89 70.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -52.07 -26.66 11.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 19.2 mtt-85 -81.57 -27.26 34.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -106.81 34.75 3.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.2 mt -81.13 116.47 21.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.9 mtp -79.61 -55.25 5.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.426 ' HB3' HD13 ' A' ' 77' ' ' LEU . . . -141.06 119.21 12.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.081 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -171.86 146.99 9.74 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.451 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -38.4 7.83 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.702 2.268 . . . . 0.0 112.347 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 170.56 -174.86 44.52 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.5 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 92.4 p -118.55 27.68 8.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.884 0.373 . . . . 0.0 110.819 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 24.9 t -54.41 -52.97 60.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.817 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.1 t -83.89 39.68 0.71 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 115' ' ' GLU . 14.2 tt0 -73.2 81.94 1.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 114' ' ' GLU . 33.6 mt-10 -37.47 147.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -63.31 174.33 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -104.8 -40.29 6.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -77.47 87.17 3.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.066 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.1 t -164.8 131.45 2.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 65.2 m80 -89.56 121.09 31.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.57 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 55.6 m -46.42 -61.0 2.0 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.966 -1.016 . . . . 0.0 110.893 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 158.01 47.28 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.459 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 86.01 105.85 0.74 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 71.1 m -93.47 90.36 6.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.892 0.377 . . . . 0.0 110.83 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -139.98 148.22 19.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.447 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 90.32 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.679 2.253 . . . . 0.0 112.3 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 71.6 m -58.84 -57.15 14.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.865 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 22.7 t -91.17 -55.3 3.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.851 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.488 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.889 0.376 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.54 HD22 ' HB3' ' A' ' 47' ' ' GLU . 4.9 mp -67.56 -40.12 84.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.83 -18.14 38.26 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.437 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.2 mmtt -90.17 0.03 57.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.777 0.323 . . . . 0.0 110.944 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.8 mt -83.84 -56.23 5.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 28.3 mt -105.31 33.37 3.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -61.81 108.56 1.03 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.52 21.68 12.47 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.46 HG12 ' N ' ' A' ' 27' ' ' VAL . 78.9 t -118.68 155.51 20.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.868 0.366 . . . . 0.0 111.091 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.572 HG13 ' HB2' ' A' ' 51' ' ' LYS . 7.2 t -131.77 114.71 25.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.639 HG21 ' HB1' ' A' ' 45' ' ' ALA . 4.3 m -104.37 142.14 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.4 t -118.69 126.93 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.556 HD12 ' CE1' ' A' ' 52' ' ' TYR . 68.5 mt -83.3 127.45 33.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.0 m -141.08 124.17 16.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.26 46.32 34.96 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -128.33 140.0 52.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.89 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -130.21 132.14 45.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.508 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -57.48 160.67 6.92 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.589 0.709 . . . . 0.0 110.912 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.8 Cg_endo -69.75 -17.24 12.02 Favored 'Cis proline' 0 C--O 1.231 0.169 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.35 -0.059 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -50.23 -50.7 48.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -51.15 -43.97 61.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.7 m -67.64 -51.39 50.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -54.12 -49.75 68.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.482 HD23 HD22 ' A' ' 30' ' ' LEU . 34.0 tp -55.86 -51.57 67.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -50.84 -61.63 2.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -41.19 -61.49 1.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -45.27 -48.55 12.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.639 ' HB1' HG21 ' A' ' 28' ' ' VAL . . . -56.8 -37.85 71.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 68.2 mt -66.47 -43.94 84.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.54 ' HB3' HD22 ' A' ' 19' ' ' LEU . 3.4 mp0 -52.53 -52.57 54.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.9 mt -53.88 -19.34 4.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.48 22.45 19.01 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.501 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.5 150.66 20.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.887 0.375 . . . . 0.0 111.087 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.572 ' HB2' HG13 ' A' ' 27' ' ' VAL . 33.0 mtmt -85.39 132.83 34.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.556 ' CE1' HD12 ' A' ' 30' ' ' LEU . 3.6 t80 -106.11 112.32 25.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 -106.65 143.88 27.91 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.599 0.714 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -9.74 26.85 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.4 ' CG ' ' N ' ' A' ' 56' ' ' TRP . 2.0 t70 -163.62 163.84 24.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.621 ' CZ2' HG13 ' A' ' 76' ' ' VAL . 64.9 t-105 -56.44 121.4 9.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.7 p -114.73 162.14 17.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.192 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -65.25 -15.8 62.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.827 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -97.88 -3.73 38.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.5 m -65.92 127.3 31.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 48.8 p -103.96 -35.2 8.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 59.5 m80 -134.12 149.64 51.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.6 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.58 HD22 HG21 ' A' ' 76' ' ' VAL . 18.9 tp -118.52 127.55 53.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 25.9 mm -94.5 105.4 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 42.4 t -104.76 145.04 30.91 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.34 -26.51 19.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.089 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -168.59 147.45 4.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.44 -177.04 0.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 43.6 m-20 62.83 34.36 14.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -110.84 159.66 31.64 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.591 0.71 . . . . 0.0 111.128 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -39.72 6.17 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.715 2.277 . . . . 0.0 112.322 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -76.2 -10.66 59.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.448 ' CZ ' HD12 ' A' ' 77' ' ' LEU . 19.1 t80 -75.53 -57.51 3.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.0 t -63.81 -36.27 83.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.849 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -54.4 -60.01 3.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.621 HG13 ' CZ2' ' A' ' 56' ' ' TRP . 39.6 t -69.58 -14.99 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.121 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.448 HD12 ' CZ ' ' A' ' 73' ' ' TYR . 6.3 tt -71.8 -50.65 27.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.83 -32.95 78.71 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.674 -0.775 . . . . 0.0 112.506 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.569 HD12 ' HA ' ' A' ' 76' ' ' VAL . 39.7 mt -61.36 -47.88 83.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.832 0.349 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 123.42 14.16 4.07 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -78.84 155.82 41.45 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.492 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -79.53 100.55 7.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.789 0.328 . . . . 0.0 110.898 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 44.9 mt -88.59 114.91 27.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.437 HG11 ' HB3' ' A' ' 101' ' ' SER . 12.2 m -127.41 174.04 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.142 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -91.47 170.42 9.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 43.7 pttt -71.07 -33.25 70.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -43.42 -27.03 0.23 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 28.3 t90 -64.62 -46.75 81.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.951 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.0 t -72.03 -46.98 57.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.093 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 62.0 mt -54.77 -47.87 73.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.445 ' HB3' ' CD1' ' A' ' 99' ' ' LEU . 1.2 m-20 -68.27 -38.17 81.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 96' ' ' ARG . 6.1 m -60.83 -49.5 77.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.408 ' CD2' ' CD2' ' A' ' 19' ' ' LEU . 48.8 t-80 -69.44 -53.6 18.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.628 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -49.23 -41.9 38.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 6.0 mtm -98.84 -4.19 33.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 92' ' ' CYS . 28.8 mtm180 43.17 43.9 4.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.489 ' HD2' HD21 ' A' ' 99' ' ' LEU . 5.5 ptp180 -141.62 163.04 34.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 25.9 ttt-85 -82.61 116.07 21.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.489 HD21 ' HD2' ' A' ' 97' ' ' ARG . 45.1 mt -109.5 148.57 38.37 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.582 0.706 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 112.87 3.19 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.246 . . . . 0.0 112.329 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.437 ' HB3' HG11 ' A' ' 84' ' ' VAL . 1.6 m -67.13 -22.64 65.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.833 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.403 ' HG3' ' N ' ' A' ' 103' ' ' ARG . 10.5 pt20 -54.13 -40.52 67.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.403 ' N ' ' HG3' ' A' ' 102' ' ' GLN . 27.0 mtm180 -67.72 -21.69 65.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -108.44 24.93 12.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.962 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 8.6 mt -69.89 124.3 23.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 6.2 mtp . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.851 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.882 0.372 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.443 HD13 HD12 ' A' ' 22' ' ' ILE . 4.4 mm? -80.21 -46.61 16.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.94 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.57 -9.97 10.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.2 mmtm -96.95 2.11 51.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.753 0.311 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.487 HD12 HD23 ' A' ' 48' ' ' LEU . 47.3 mt -93.29 -58.81 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.9 mt -104.87 41.49 1.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -67.73 107.45 2.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.78 26.65 11.38 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.2 t -120.12 135.54 60.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.916 0.388 . . . . 0.0 111.149 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.0 t -113.3 113.07 42.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.452 HG21 ' HB1' ' A' ' 45' ' ' ALA . 5.2 m -102.69 150.93 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 51.5 t -126.73 125.79 67.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.895 HD22 HD23 ' A' ' 41' ' ' LEU . 92.1 mt -87.44 124.42 33.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.3 t -145.5 145.12 30.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 54.68 53.65 37.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.494 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.741 ' HZ ' HG22 ' A' ' 64' ' ' ILE . 41.6 m-85 -127.4 166.35 18.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.885 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -109.51 179.31 4.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.504 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.6 OUTLIER -133.3 160.72 67.51 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.667 0.746 . . . . 0.0 110.867 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 54.1 Cg_endo -69.77 -2.42 7.15 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.377 -0.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.485 ' N ' ' HA ' ' A' ' 35' ' ' ASN . 23.0 t80 -33.22 -46.47 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -41.91 -56.98 2.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.5 t -53.9 -54.74 34.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.406 ' HG3' ' NZ ' ' A' ' 44' ' ' LYS . 6.4 tp10 -47.5 -48.08 27.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.895 HD23 HD22 ' A' ' 30' ' ' LEU . 30.7 tp -65.47 -40.53 93.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.502 ' HE ' HD11 ' A' ' 46' ' ' LEU . 34.3 ttp180 -60.54 -58.97 6.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.656 ' HA ' HD12 ' A' ' 46' ' ' LEU . 5.1 t0 -41.99 -55.61 3.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.406 ' NZ ' ' HG3' ' A' ' 40' ' ' GLU . 52.6 mttt -52.1 -47.46 65.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.655 ' HA ' HD12 ' A' ' 48' ' ' LEU . . . -62.45 -31.25 71.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.656 HD12 ' HA ' ' A' ' 43' ' ' ASP . 55.2 mt -69.82 -48.72 57.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.422 ' C ' ' HB3' ' A' ' 19' ' ' LEU . 12.5 mm-40 -54.96 -46.02 74.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.655 HD12 ' HA ' ' A' ' 45' ' ' ALA . 8.3 mt -57.14 -14.41 3.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.27 30.19 12.94 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.456 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.91 151.24 25.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.342 . . . . 0.0 111.102 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.1 mttm -89.72 135.22 33.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -104.4 111.21 23.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -103.83 143.47 26.71 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.579 0.704 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -12.39 32.83 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.654 2.236 . . . . 0.0 112.367 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -163.42 164.2 24.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.539 ' CZ3' ' HB3' ' A' ' 60' ' ' SER . 41.0 t-105 -61.09 127.2 30.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.2 p -124.67 -177.9 3.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.5 ptt85 -78.42 -5.5 52.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -105.85 -13.1 15.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.539 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 1.8 m -65.4 129.98 41.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 67.8 p -103.99 -44.46 5.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -123.85 152.96 41.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 1.147 . . . . 0.0 109.585 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.616 HD22 HG21 ' A' ' 76' ' ' VAL . 7.1 tp -120.51 113.91 20.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.741 HG22 ' HZ ' ' A' ' 33' ' ' PHE . 27.5 mm -80.9 111.85 18.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.082 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 8.3 t -113.71 151.95 31.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.53 -28.75 21.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.524 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 0.0 OUTLIER -170.36 170.11 7.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -83.21 -176.41 6.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.6 m120 64.45 33.36 11.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -114.84 160.4 33.68 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.555 0.693 . . . . 0.0 111.16 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 -48.15 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.671 2.248 . . . . 0.0 112.394 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.9 mmtm -70.33 -14.16 62.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -72.48 -46.01 56.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.7 t -84.37 -26.91 28.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -58.77 -41.89 87.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.616 HG21 HD22 ' A' ' 63' ' ' LEU . 38.5 t -86.34 -14.86 10.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.477 ' CA ' HD11 ' A' ' 83' ' ' ILE . 32.6 tp -72.23 -40.89 67.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.67 -28.99 70.07 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.485 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 70.6 mt -70.71 -52.21 22.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.87 0.367 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 128.6 24.86 1.08 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.514 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -86.17 167.18 39.34 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.465 ' NE ' HD21 ' A' ' 105' ' ' LEU . 3.9 tpm_? -87.27 96.18 10.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.788 0.328 . . . . 0.0 110.898 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.477 HD11 ' CA ' ' A' ' 77' ' ' LEU . 28.1 mt -86.61 111.31 21.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.089 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.512 HG11 ' HB2' ' A' ' 101' ' ' SER . 11.2 m -131.39 167.96 25.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 80.6 mtt180 -81.29 177.06 9.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 88' ' ' TRP . 6.0 ptmm? -75.75 -39.96 56.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 86' ' ' LYS . 5.5 mm-40 -35.93 -32.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.467 ' N ' ' O ' ' A' ' 86' ' ' LYS . 23.2 t90 -55.75 -58.28 8.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 62.8 t -62.63 -53.59 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.463 HD11 ' NZ ' ' A' ' 86' ' ' LYS . 53.5 mt -49.89 -60.67 2.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -55.74 -45.64 77.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 4.3 m -54.06 -47.55 71.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -67.01 -55.38 14.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.646 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -44.78 -51.95 8.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 8.7 mtm -86.38 -8.81 57.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.9 mtm-85 50.33 40.76 23.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.83 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -140.43 162.48 35.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 26.7 ttt-85 -81.48 118.53 22.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 65.2 mt -107.87 148.91 38.31 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.585 0.707 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 101.38 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.359 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.512 ' HB2' HG11 ' A' ' 84' ' ' VAL . 99.7 p -63.69 -9.57 14.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -71.2 -11.0 60.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 38.0 mtt180 -95.63 -18.83 20.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -99.7 -1.51 37.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.465 HD21 ' NE ' ' A' ' 82' ' ' ARG . 26.7 mt -52.53 135.98 33.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.94 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.4 mtm . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 179.875 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.904 0.383 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.595 HD12 HD23 ' A' ' 48' ' ' LEU . 2.1 mm? -60.03 -52.75 64.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.33 -17.56 32.44 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -87.35 -9.5 54.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.786 0.327 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 30.4 mt -78.62 -59.11 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.9 mt -105.55 39.52 1.74 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -66.3 118.19 9.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.08 14.99 63.47 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.442 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.9 t -109.05 149.44 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.378 . . . . 0.0 111.099 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.409 HG22 ' HB2' ' A' ' 51' ' ' LYS . 27.8 t -127.73 128.24 69.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.2 m -116.35 162.18 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 81.4 t -140.96 131.85 27.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.1 mt -88.46 121.19 30.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.3 t -148.15 105.63 3.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.57 20.26 8.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.615 ' CZ ' HG22 ' A' ' 64' ' ' ILE . 56.8 m-85 -119.13 159.37 24.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.851 0.358 . . . . 0.0 110.817 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -135.32 129.33 33.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.604 ' ND2' ' HE ' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -56.36 160.66 4.86 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.671 0.748 . . . . 0.0 110.866 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 54.1 Cg_endo -69.73 -3.58 7.74 Favored 'Cis proline' 0 C--N 1.342 0.206 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.354 -0.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.459 ' N ' ' HA ' ' A' ' 35' ' ' ASN . 2.6 t80 -49.51 -60.68 2.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.604 ' HE ' ' ND2' ' A' ' 35' ' ' ASN . 21.3 ptt85 -52.31 -44.34 65.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.821 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.44 ' N ' ' CG ' ' A' ' 38' ' ' ARG . 1.3 t -60.98 -31.89 71.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.824 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -76.39 -49.54 16.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.1 mt -53.1 -46.79 68.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.6 ttp180 -56.07 -60.38 3.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -42.94 -57.59 2.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -59.84 -43.76 94.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.0 -32.09 63.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 66.7 mt -68.89 -41.3 78.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.55 ' CD ' ' HE2' ' A' ' 93' ' ' HIS . 6.3 mt-10 -54.57 -51.87 63.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.595 HD23 HD12 ' A' ' 19' ' ' LEU . 20.9 mt -54.49 -16.22 2.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.41 30.34 12.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.484 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.72 152.8 22.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.839 0.352 . . . . 0.0 111.115 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.409 ' HB2' HG22 ' A' ' 27' ' ' VAL . 0.6 OUTLIER -89.02 141.29 28.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -112.09 109.26 18.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.405 ' HE ' HG21 ' A' ' 57' ' ' THR . 26.5 mmm180 -103.07 143.06 25.85 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.588 0.708 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -19.12 36.62 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.68 2.253 . . . . 0.0 112.327 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -153.4 154.5 34.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.577 ' CZ2' HG13 ' A' ' 76' ' ' VAL . 74.8 t-105 -60.29 125.98 25.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.405 HG21 ' HE ' ' A' ' 53' ' ' ARG . 1.5 t -131.72 171.44 13.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.117 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -63.17 -10.17 14.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.832 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -96.74 -17.74 20.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.814 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.409 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 2.1 m -71.16 123.34 21.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.6 p -95.6 -58.08 2.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.187 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -109.88 141.85 42.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.587 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.451 HD22 HG21 ' A' ' 76' ' ' VAL . 5.5 tp -110.52 131.73 54.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.615 HG22 ' CZ ' ' A' ' 33' ' ' PHE . 7.0 mm -96.97 107.21 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.089 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 6.1 t -111.13 151.26 28.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.38 -36.51 17.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -156.95 163.73 38.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.2 -178.1 4.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.157 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 61.75 46.01 7.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.846 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.9 158.84 48.96 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.548 0.69 . . . . 0.0 111.16 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -29.55 23.66 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.667 2.245 . . . . 0.0 112.362 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.42 -18.57 31.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.509 ' CE1' HD12 ' A' ' 77' ' ' LEU . 33.1 t80 -73.27 -52.51 13.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.7 m -60.5 -45.05 95.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -50.88 -68.81 0.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.577 HG13 ' CZ2' ' A' ' 56' ' ' TRP . 42.3 t -55.89 -14.92 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.117 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.509 HD12 ' CE1' ' A' ' 73' ' ' TYR . 3.1 tt -71.19 -48.56 50.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -73.96 -38.87 47.78 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.564 HD13 ' HE1' ' A' ' 56' ' ' TRP . 22.4 mt -51.24 -54.31 27.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.954 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 129.98 21.93 1.18 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -87.65 169.7 39.39 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -98.63 97.06 8.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.809 0.338 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.473 HG21 ' CD2' ' A' ' 73' ' ' TYR . 19.4 mt -82.44 120.54 34.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.127 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.75 HG11 ' HB3' ' A' ' 101' ' ' SER . 2.7 m -130.18 174.57 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -84.98 175.6 8.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HG3' HD12 ' A' ' 90' ' ' LEU . 7.7 ptpt -73.31 -38.89 65.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -41.09 -32.7 0.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -46.34 -57.63 4.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 90' ' ' LEU . 40.3 t -68.9 -63.22 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.514 HD12 ' HG3' ' A' ' 86' ' ' LYS . 51.8 mt -37.33 -50.18 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 92' ' ' CYS . 30.5 m-20 -71.54 -65.17 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 91' ' ' ASP . 9.2 m -35.08 -36.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.55 ' HE2' ' CD ' ' A' ' 47' ' ' GLU . 54.5 t-80 -79.1 -59.65 2.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.619 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -42.18 -54.99 3.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 33.4 mtm -82.23 -8.53 59.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 46.6 mtm180 50.41 43.89 26.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -143.9 158.5 43.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 14.7 ttt180 -83.09 118.07 23.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 67.5 mt -104.16 148.7 36.33 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.572 0.701 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 100.49 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.686 2.258 . . . . 0.0 112.342 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.75 ' HB3' HG11 ' A' ' 84' ' ' VAL . 1.3 m -57.09 -18.61 15.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.471 ' HA ' ' CD1' ' A' ' 105' ' ' LEU . 44.8 mt-30 -59.93 -13.19 9.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -93.9 -31.01 14.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -93.17 -2.24 55.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 102' ' ' GLN . 18.1 mt -45.64 130.3 8.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.413 ' SD ' HG22 ' A' ' 83' ' ' ILE . 71.8 mtp . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.92 0.39 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.648 HD22 ' HB3' ' A' ' 47' ' ' GLU . 5.5 mp -70.39 -38.76 74.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.6 -15.54 26.07 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.462 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.429 ' NZ ' ' HA ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -94.7 5.28 52.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.762 0.315 . . . . 0.0 110.901 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.562 HG23 ' HG3' ' A' ' 98' ' ' ARG . 63.2 mt -89.21 -55.27 6.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 72.8 mt -111.76 42.61 1.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.898 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -64.91 107.79 1.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.65 28.86 7.68 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.8 t -119.94 147.64 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 0.0 111.129 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.9 t -124.91 120.8 59.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.539 HG21 ' HB1' ' A' ' 45' ' ' ALA . 10.7 m -112.58 146.25 17.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.102 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.431 HG22 ' HB2' ' A' ' 53' ' ' ARG . 67.6 t -125.85 121.45 59.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.135 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.643 HD12 ' CE1' ' A' ' 52' ' ' TYR . 88.4 mt -82.07 123.26 28.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.0 t -147.01 106.29 3.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.84 37.6 2.34 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.501 ' CE1' ' HB2' ' A' ' 66' ' ' ALA . 77.3 m-85 -130.42 161.2 31.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.792 0.329 . . . . 0.0 110.854 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -139.19 122.38 16.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.517 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 1.8 p30 -50.94 156.34 1.73 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.626 0.726 . . . . 0.0 110.921 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.5 Cg_endo -69.76 -24.71 8.42 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.332 -0.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' PRO . 7.5 t80 -37.03 -51.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -51.93 -49.64 62.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.8 t -62.73 -63.28 1.26 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -42.36 -49.87 5.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.409 HD23 HD22 ' A' ' 30' ' ' LEU . 59.1 tp -60.81 -41.16 95.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.445 ' HB2' HD11 ' A' ' 30' ' ' LEU . 26.3 ttp180 -61.69 -43.49 98.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -52.69 -61.7 2.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -48.17 -45.3 33.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.539 ' HB1' HG21 ' A' ' 28' ' ' VAL . . . -53.83 -40.94 66.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 22.5 mt -68.31 -43.22 78.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.648 ' HB3' HD22 ' A' ' 19' ' ' LEU . 1.1 mp0 -53.31 -47.76 68.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.5 mt -60.91 -12.61 11.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.53 15.08 44.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.504 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.17 145.27 24.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.358 . . . . 0.0 111.07 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -87.2 133.71 33.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.643 ' CE1' HD12 ' A' ' 30' ' ' LEU . 4.0 t80 -102.73 113.28 26.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.584 ' HD2' HG21 ' A' ' 57' ' ' THR . 12.2 mmt-85 -111.28 144.09 29.77 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.652 0.739 . . . . 0.0 110.86 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -34.55 14.51 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.668 2.245 . . . . 0.0 112.367 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.71 156.56 46.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.566 ' CZ2' HG13 ' A' ' 76' ' ' VAL . 60.8 t-105 -53.68 107.59 0.27 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.584 HG21 ' HD2' ' A' ' 53' ' ' ARG . 5.8 p -94.97 166.87 11.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.105 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.4 ttt85 -61.47 -37.58 84.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.446 ' O ' HG23 ' A' ' 61' ' ' THR . 1.5 m-20 -73.71 -15.68 61.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.543 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 70.8 m -42.89 120.67 1.84 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 59' ' ' ASP . 73.9 p -110.05 -34.69 6.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.199 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.441 ' CD2' ' HB3' ' A' ' 82' ' ' ARG . 10.4 m80 -141.61 135.93 30.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.102 . . . . 0.0 109.578 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.977 HD22 HG21 ' A' ' 76' ' ' VAL . 14.3 tp -100.63 122.39 43.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.968 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.0 mm -87.31 93.36 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.161 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.7 t -95.86 163.85 12.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.501 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . . . -110.01 -35.09 6.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' A' ' 67' ' ' PHE . 1.1 p90 -156.76 150.23 24.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.83 -179.89 1.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 46.9 m-20 65.92 29.59 10.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -105.45 156.23 36.69 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.627 0.727 . . . . 0.0 111.137 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -16.04 37.28 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.673 2.249 . . . . 0.0 112.305 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.7 tptt -97.38 -24.79 15.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -68.21 -37.92 81.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.7 t -84.62 -17.81 37.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -77.67 -46.03 23.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.977 HG21 HD22 ' A' ' 63' ' ' LEU . 39.9 t -75.95 -14.8 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.7 tp -74.47 -52.0 13.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.2 -34.56 74.12 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.461 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.408 HD13 ' NE1' ' A' ' 56' ' ' TRP . 25.3 mt -67.92 -62.49 1.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.356 . . . . 0.0 110.955 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 135.65 37.17 0.19 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.429 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -101.21 151.3 18.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.546 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.481 ' HD2' HD21 ' A' ' 105' ' ' LEU . 14.3 tpp180 -73.26 95.9 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.741 0.305 . . . . 0.0 110.854 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 18.2 mt -80.99 114.21 21.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.534 HG11 ' HB3' ' A' ' 101' ' ' SER . 11.6 m -132.28 160.19 42.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.401 ' HG3' ' CG ' ' A' ' 106' ' ' MET . 63.8 mtp180 -82.37 168.8 17.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 87' ' ' GLU . 25.9 pttm -62.67 -37.28 85.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 86' ' ' LYS . 29.7 mt-10 -36.23 -40.88 0.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 29.7 t90 -52.28 -56.22 16.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.925 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 89.2 t -63.31 -58.99 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 24.9 mt -43.0 -46.29 5.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.445 ' HB3' ' CD1' ' A' ' 99' ' ' LEU . 2.4 m-20 -71.31 -49.73 39.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 55.7 m -48.84 -45.32 40.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.483 ' CD2' ' CD2' ' A' ' 19' ' ' LEU . 59.2 t-80 -72.68 -58.13 3.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.615 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 35.4 ttt-85 -44.82 -33.0 1.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.847 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 9.1 mtm -104.16 -9.66 18.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 93' ' ' HIS . 15.4 mtm-85 49.45 45.94 23.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -150.06 175.08 12.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.562 ' HG3' HG23 ' A' ' 22' ' ' ILE . 23.8 mtm180 -89.0 127.58 35.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.445 ' CD1' ' HB3' ' A' ' 91' ' ' ASP . 66.0 mt -116.01 150.28 44.8 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.615 0.721 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 99.03 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.634 2.223 . . . . 0.0 112.35 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.534 ' HB3' HG11 ' A' ' 84' ' ' VAL . 50.3 m -53.34 -30.18 38.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.821 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.451 ' HA ' ' CD1' ' A' ' 105' ' ' LEU . 1.2 mp0 -48.5 -50.68 30.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 34.5 mtm180 -57.68 -20.07 31.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -112.75 38.05 2.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.481 HD21 ' HD2' ' A' ' 82' ' ' ARG . 14.1 mt -88.47 125.94 34.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.868 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.401 ' CG ' ' HG3' ' A' ' 85' ' ' ARG . 31.1 mtp . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.876 0.37 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.708 HD22 ' HB3' ' A' ' 47' ' ' GLU . 5.5 mp -83.75 -36.17 23.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.07 -9.89 24.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.461 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -104.36 7.71 35.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.512 HD11 ' O ' ' A' ' 96' ' ' ARG . 88.1 mt -91.59 -59.07 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.476 ' CD1' HD13 ' A' ' 48' ' ' LEU . 21.1 mt -102.87 38.55 1.71 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -65.99 120.21 12.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.46 8.13 64.46 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.539 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 23.5 t -106.06 143.05 17.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.869 0.366 . . . . 0.0 111.152 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.454 HG13 ' HB2' ' A' ' 51' ' ' LYS . 21.3 t -124.57 117.12 49.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.173 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.2 m -106.93 163.79 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.7 t -136.5 126.27 39.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.151 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.6 mt -84.18 117.23 23.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.5 t -131.69 137.07 48.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 67.36 37.45 90.51 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.472 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.575 ' CE1' ' CD2' ' A' ' 41' ' ' LEU . 88.4 m-85 -120.19 141.45 49.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.843 0.354 . . . . 0.0 110.851 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -126.5 124.69 40.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.916 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.541 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 1.2 p30 -51.2 154.18 2.96 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.588 0.709 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 54.1 Cg_endo -69.68 -25.75 7.78 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.403 -0.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.448 ' C ' ' O ' ' A' ' 36' ' ' PRO . 6.3 t80 -34.67 -57.16 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -50.66 -42.16 56.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 36' ' ' PRO . 66.7 m -67.97 -57.87 5.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.839 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -50.36 -49.82 53.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.575 ' CD2' ' CE1' ' A' ' 33' ' ' PHE . 24.7 tp -57.49 -42.24 82.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -56.78 -60.09 4.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.635 ' HA ' HD12 ' A' ' 46' ' ' LEU . 3.9 t70 -44.03 -55.78 4.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.43 ' HG2' ' ND1' ' A' ' 93' ' ' HIS . 82.3 mttt -51.19 -45.31 61.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.12 -29.97 70.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.083 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.635 HD12 ' HA ' ' A' ' 43' ' ' ASP . 38.1 mt -72.84 -43.21 62.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.708 ' HB3' HD22 ' A' ' 19' ' ' LEU . 21.1 mm-40 -51.27 -51.85 50.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.476 HD13 ' CD1' ' A' ' 23' ' ' LEU . 21.0 mt -55.79 -18.05 7.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.96 20.67 25.38 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.455 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.69 151.01 20.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 111.088 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.454 ' HB2' HG13 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -92.44 124.52 36.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -94.61 112.88 24.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.4 mmp_? -106.61 143.74 27.63 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.617 0.722 . . . . 0.0 110.855 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -25.74 28.34 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.684 2.256 . . . . 0.0 112.32 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -140.42 155.99 46.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.53 ' CZ3' ' HB2' ' A' ' 63' ' ' LEU . 75.8 t-105 -62.44 89.4 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 t -83.55 158.53 21.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.9 ttm-85 -59.82 -13.49 10.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -89.56 -23.42 22.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.429 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 3.2 m -57.84 132.89 54.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 13.1 p -107.07 -38.94 5.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.114 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -126.14 141.62 51.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.578 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.657 HD22 HG21 ' A' ' 76' ' ' VAL . 9.2 tp -110.76 133.67 53.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.439 HG23 ' HA ' ' A' ' 86' ' ' LYS . 33.1 mm -103.2 98.08 6.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 5.0 t -94.48 138.66 32.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.401 ' C ' ' CD1' ' A' ' 67' ' ' PHE . . . -69.76 -39.69 76.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 66' ' ' ALA . 0.8 OUTLIER -165.29 168.24 17.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.475 ' C ' ' CG ' ' A' ' 69' ' ' ASN . . . -68.27 -175.56 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.057 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.475 ' CG ' ' C ' ' A' ' 68' ' ' ALA . 0.2 OUTLIER 49.44 44.57 23.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.1 p -118.43 158.62 46.4 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.585 0.707 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -35.46 12.71 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.704 2.269 . . . . 0.0 112.354 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -81.49 -14.9 56.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -78.0 -41.26 36.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 t -90.49 -9.73 46.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.829 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -82.1 -36.29 27.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.657 HG21 HD22 ' A' ' 63' ' ' LEU . 43.3 t -90.07 -14.84 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.9 tp -71.5 -51.31 24.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.84 -36.2 89.21 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.515 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 76' ' ' VAL . 19.9 mt -65.96 -42.07 90.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.868 0.366 . . . . 0.0 110.927 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 113.52 35.32 1.6 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.481 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -95.1 167.68 26.7 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -88.66 95.07 10.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.762 0.315 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.6 HG23 HD23 ' A' ' 63' ' ' LEU . 18.8 mt -86.85 114.69 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.816 HG11 ' OG ' ' A' ' 101' ' ' SER . 17.7 m -132.07 147.8 32.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 41.2 mtt85 -60.72 170.82 1.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 88' ' ' TRP . 49.5 pttt -75.24 -35.03 61.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -38.65 -26.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.489 ' N ' ' O ' ' A' ' 86' ' ' LYS . 16.0 t90 -62.15 -60.35 3.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 93.1 t -59.21 -43.1 88.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.121 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' ' 86' ' ' LYS . 4.1 mm? -53.24 -56.08 19.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 93' ' ' HIS . 7.3 m-20 -59.14 -63.05 1.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.447 ' C ' ' O ' ' A' ' 91' ' ' ASP . 81.6 m -34.57 -33.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.483 ' N ' ' O ' ' A' ' 91' ' ' ASP . 31.3 t-80 -87.16 -58.65 2.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.592 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -38.41 -44.08 0.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.443 ' CE ' ' HB3' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -99.1 -25.13 14.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.512 ' O ' HD11 ' A' ' 22' ' ' ILE . 13.3 mtt85 70.89 35.61 1.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.539 ' HD2' HD21 ' A' ' 99' ' ' LEU . 7.1 ptp85 -131.93 165.52 23.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 24.6 ttt85 -83.03 123.23 29.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.539 HD21 ' HD2' ' A' ' 97' ' ' ARG . 26.0 mt -119.0 150.21 48.28 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.587 0.708 . . . . 0.0 110.946 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 129.49 17.71 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.716 2.278 . . . . 0.0 112.358 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.816 ' OG ' HG11 ' A' ' 84' ' ' VAL . 3.9 t -83.49 -12.45 56.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.471 ' HA ' ' CD1' ' A' ' 105' ' ' LEU . 17.9 pt20 -69.24 -26.07 64.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.948 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 38.4 mtp180 -80.6 -22.7 40.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -98.83 -5.18 31.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 102' ' ' GLN . 14.4 mt -46.14 131.72 10.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.1 mtp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 179.867 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.945 0.402 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.894 HD22 ' HB3' ' A' ' 47' ' ' GLU . 5.8 mp -81.91 -37.49 26.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.95 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.49 -26.03 51.1 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -84.62 4.91 30.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.756 0.312 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.402 HD11 ' C ' ' A' ' 96' ' ' ARG . 41.9 mt -92.19 -58.31 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.153 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.4 mt -108.29 34.17 3.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -59.29 111.06 1.22 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.83 32.49 9.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.466 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.6 t -120.65 151.2 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 111.112 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.0 t -128.03 117.57 46.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.09 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.4 m -110.93 153.83 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.101 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.3 t -128.98 122.23 56.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.626 HD22 HD23 ' A' ' 41' ' ' LEU . 89.8 mt -82.16 123.41 28.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 m -140.93 132.57 27.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 74.85 31.22 58.41 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.502 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.653 ' CZ ' ' CD2' ' A' ' 41' ' ' LEU . 59.2 m-85 -112.27 161.02 17.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.789 0.328 . . . . 0.0 110.884 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.439 ' N ' ' HB2' ' A' ' 38' ' ' ARG . 9.4 tp60 -144.03 131.92 21.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.537 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -62.05 154.16 70.45 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.622 0.725 . . . . 0.0 110.891 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.9 Cg_endo -69.78 -30.91 4.88 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.649 -1.813 . . . . 0.0 112.389 -0.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' A' ' 36' ' ' PRO . 12.3 t80 -34.49 -58.73 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.439 ' HB2' ' N ' ' A' ' 34' ' ' GLN . 21.3 ttm180 -45.53 -49.46 13.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.4 t -64.03 -57.62 9.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -46.7 -53.71 11.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.653 ' CD2' ' CZ ' ' A' ' 33' ' ' PHE . 23.5 tp -46.54 -40.24 12.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.945 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.438 ' NE ' ' CD2' ' A' ' 52' ' ' TYR . 28.0 ttt180 -68.17 -49.29 61.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -43.21 -56.69 3.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -60.79 -49.05 79.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.78 -33.37 16.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.102 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 51.4 mt -69.12 -42.09 76.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.894 ' HB3' HD22 ' A' ' 19' ' ' LEU . 36.3 mm-40 -55.35 -43.65 75.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.6 mt -62.82 -14.65 48.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.929 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.79 23.42 33.18 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.492 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.73 152.27 18.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.885 0.374 . . . . 0.0 111.084 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.435 ' N ' ' HE3' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -89.54 130.92 35.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.619 ' CE1' HD12 ' A' ' 30' ' ' LEU . 3.4 t80 -101.81 107.61 18.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -106.2 143.58 27.23 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.716 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -29.37 24.05 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.681 2.254 . . . . 0.0 112.358 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -140.41 160.53 39.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.543 ' CZ3' ' HB3' ' A' ' 60' ' ' SER . 62.2 t-105 -57.64 110.82 0.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 65.3 p -97.15 172.45 7.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -76.43 -2.24 31.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -111.53 -6.13 14.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.543 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 47.6 m -58.89 119.54 7.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 60.3 p -97.94 -33.34 11.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.171 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.445 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 21.6 m80 -137.45 147.41 45.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.582 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.486 HD22 HG21 ' A' ' 76' ' ' VAL . 10.2 tp -116.72 119.0 34.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.514 HG23 ' HA ' ' A' ' 86' ' ' LYS . 12.9 mm -86.07 92.16 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 52.4 t -93.76 144.3 25.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.02 -44.42 16.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.086 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -152.5 145.06 24.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.5 -175.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.057 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 63.29 28.66 15.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.23 160.01 27.69 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.632 0.729 . . . . 0.0 111.089 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -34.24 14.8 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.644 2.229 . . . . 0.0 112.31 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.49 -25.4 45.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.967 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -62.09 -54.62 38.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.3 t -65.55 -41.97 92.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.846 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -49.79 -48.28 50.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.486 HG21 HD22 ' A' ' 63' ' ' LEU . 39.7 t -80.75 -15.02 12.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 49.2 tp -73.8 -43.63 58.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.4 -36.55 78.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.548 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 30.2 mt -60.99 -46.81 89.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.877 0.37 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 117.18 42.07 0.66 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.513 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -101.73 166.54 18.18 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.516 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.48 ' HD2' HD21 ' A' ' 105' ' ' LEU . 3.5 tpt180 -84.9 94.79 8.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 110.871 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 57.9 mt -85.53 114.89 26.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.717 HG11 ' OG ' ' A' ' 101' ' ' SER . 4.3 m -132.06 163.03 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.6 mtp85 -69.58 177.14 3.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HA ' HG23 ' A' ' 64' ' ' ILE . 19.1 pttm -79.82 -29.79 40.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.414 ' O ' ' CG ' ' A' ' 91' ' ' ASP . 7.8 tt0 -50.67 -40.25 53.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 24.9 t90 -40.41 -33.07 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 92.4 t -88.53 -41.47 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.121 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 54.1 mt -61.36 -55.96 25.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 87' ' ' GLU . 0.7 OUTLIER -58.84 -47.95 83.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.821 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 96' ' ' ARG . 12.4 m -56.04 -52.11 65.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -60.03 -55.26 36.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.653 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -46.97 -52.38 14.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.406 ' CB ' ' HG2' ' A' ' 97' ' ' ARG . 11.3 mtm -84.21 -4.81 59.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 92' ' ' CYS . 30.0 mtm-85 47.43 44.04 16.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.406 ' HG2' ' CB ' ' A' ' 95' ' ' MET . 7.4 ptp180 -141.77 170.49 15.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 27.0 ttt-85 -93.92 114.6 26.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 72.3 mt -99.28 149.03 35.44 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.597 0.713 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 104.39 1.32 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.702 2.268 . . . . 0.0 112.311 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.717 ' OG ' HG11 ' A' ' 84' ' ' VAL . 38.8 t -51.77 -28.31 14.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -51.86 -36.79 49.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -73.76 -26.88 60.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.44 ' O ' HG12 ' A' ' 84' ' ' VAL . 97.2 m-85 -101.75 22.98 11.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.48 HD21 ' HD2' ' A' ' 82' ' ' ARG . 11.6 mt -69.54 119.89 14.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.88 0.371 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.636 HD13 HD12 ' A' ' 22' ' ' ILE . 4.3 mm? -73.29 -48.25 36.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.13 -21.39 38.85 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -86.49 4.47 39.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.744 0.307 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.636 HD12 HD13 ' A' ' 19' ' ' LEU . 27.2 mt -93.17 -59.07 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.183 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.458 ' CD1' HD13 ' A' ' 48' ' ' LEU . 22.9 mt -105.08 40.97 1.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.519 HE21 ' N ' ' A' ' 25' ' ' GLY . 8.8 tp60 -63.62 112.49 2.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.519 ' N ' HE21 ' A' ' 24' ' ' GLN . . . 90.41 28.67 16.25 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.472 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.2 t -117.01 134.13 61.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 0.0 111.166 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.523 HG22 ' HB2' ' A' ' 51' ' ' LYS . 84.4 t -115.46 110.4 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.41 ' HB ' ' CG1' ' A' ' 64' ' ' ILE . 17.0 m -106.35 151.87 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.751 HG22 ' HB2' ' A' ' 53' ' ' ARG . 70.6 t -127.0 129.82 71.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.429 HD12 ' CE1' ' A' ' 52' ' ' TYR . 87.2 mt -81.96 123.48 28.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.6 m -139.89 105.86 5.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.07 39.52 3.52 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.483 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.584 ' CE1' ' CD2' ' A' ' 41' ' ' LEU . 92.9 m-85 -127.92 148.56 50.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -136.51 128.96 30.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.544 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 2.0 p30 -54.22 154.17 8.49 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.662 0.744 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 54.1 Cg_endo -69.77 -23.91 8.84 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.341 -0.018 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -41.39 -52.37 3.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 -50.03 -54.28 21.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.0 m -56.94 -60.35 3.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -44.94 -51.72 9.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.584 ' CD2' ' CE1' ' A' ' 33' ' ' PHE . 28.4 tp -55.52 -46.33 77.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.464 ' HG3' ' CD2' ' A' ' 52' ' ' TYR . 36.5 ttp180 -57.77 -52.18 66.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.708 ' HA ' HD12 ' A' ' 46' ' ' LEU . 24.1 t0 -50.11 -53.41 27.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.865 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.441 ' HG2' ' ND1' ' A' ' 93' ' ' HIS . 64.1 mttt -52.57 -45.22 66.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.5 -36.11 75.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.708 HD12 ' HA ' ' A' ' 43' ' ' ASP . 27.2 mt -64.74 -42.05 95.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.417 ' C ' ' HB3' ' A' ' 19' ' ' LEU . 6.1 mm-40 -51.33 -53.42 36.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.458 HD13 ' CD1' ' A' ' 23' ' ' LEU . 6.8 mt -57.27 -12.78 2.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.1 27.74 25.02 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.49 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.57 155.86 17.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.873 0.368 . . . . 0.0 111.081 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.523 ' HB2' HG22 ' A' ' 27' ' ' VAL . 0.9 OUTLIER -92.64 130.28 38.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.464 ' CD2' ' HG3' ' A' ' 42' ' ' ARG . 1.8 t80 -101.03 113.59 26.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.751 ' HB2' HG22 ' A' ' 29' ' ' VAL . 13.1 mmp_? -108.75 143.98 28.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.61 0.719 . . . . 0.0 110.87 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -26.41 27.49 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.709 2.273 . . . . 0.0 112.3 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -143.84 164.0 31.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.667 ' CZ2' HG13 ' A' ' 76' ' ' VAL . 58.7 t-105 -61.05 108.35 0.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.941 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 39.3 p -100.48 166.88 10.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -69.96 -24.44 63.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.819 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -85.11 -14.22 47.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.494 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 28.1 m -55.51 139.78 42.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 39.6 p -109.44 -42.94 4.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.099 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.46 ' CE1' HH21 ' A' ' 82' ' ' ARG . 0.3 OUTLIER -127.98 161.87 28.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.644 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.732 HD23 HG21 ' A' ' 76' ' ' VAL . 1.2 tm? -119.92 121.09 38.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.963 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.679 ' N ' HD13 ' A' ' 63' ' ' LEU . 29.9 mm -90.61 97.73 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.159 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 41.3 t -105.24 140.25 38.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.414 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . . . -88.4 -40.07 13.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.414 ' CE1' ' HB3' ' A' ' 66' ' ' ALA . 0.4 OUTLIER -154.26 137.95 16.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.05 -178.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 65.62 45.26 2.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.2 p -125.39 158.17 65.16 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.563 0.697 . . . . 0.0 111.176 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -25.71 28.33 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.68 2.253 . . . . 0.0 112.316 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm -90.28 -34.68 15.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.472 ' CZ ' HD12 ' A' ' 77' ' ' LEU . 37.7 t80 -57.22 -59.22 5.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.6 t -60.42 -46.42 90.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.827 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -47.33 -61.56 1.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.732 HG21 HD23 ' A' ' 63' ' ' LEU . 39.9 t -65.59 -14.93 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.472 HD12 ' CZ ' ' A' ' 73' ' ' TYR . 4.8 tt -77.21 -57.99 3.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.961 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.77 -39.32 87.0 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.505 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 76' ' ' VAL . 20.2 mt -55.67 -38.0 69.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.853 0.359 . . . . 0.0 110.946 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 114.93 13.67 9.1 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.496 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -78.25 161.88 49.18 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.469 ' HG3' HD21 ' A' ' 105' ' ' LEU . 24.3 ttp180 -84.34 100.85 11.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.782 0.325 . . . . 0.0 110.871 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.463 ' CD1' ' O ' ' A' ' 73' ' ' TYR . 12.2 mt -91.52 125.67 44.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.779 HG11 ' HB2' ' A' ' 101' ' ' SER . 2.3 m -136.73 157.79 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -75.93 160.83 29.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -60.02 -30.17 68.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -45.0 -29.43 0.84 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 19.1 t90 -59.85 -52.77 64.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 81.1 t -66.52 -50.95 62.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 33.6 mt -51.1 -56.88 10.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -59.31 -58.49 8.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 96' ' ' ARG . 64.3 m -43.54 -49.48 7.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.441 ' ND1' ' HG2' ' A' ' 44' ' ' LYS . 7.2 t-80 -58.94 -67.72 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.637 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 -41.06 -60.29 1.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.48 ' HB3' ' NE ' ' A' ' 97' ' ' ARG . 4.2 mmt -66.79 -24.71 66.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 92' ' ' CYS . 69.3 mtm180 62.34 33.24 16.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.48 ' NE ' ' HB3' ' A' ' 95' ' ' MET . 8.1 ptp180 -129.8 176.28 8.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 29.6 ttt-85 -97.85 88.54 4.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 20.8 mt -81.63 148.87 63.1 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.604 0.716 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 121.43 8.13 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.779 ' HB2' HG11 ' A' ' 84' ' ' VAL . 33.2 p -76.98 -23.12 52.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.84 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -55.22 -32.41 62.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -75.39 -16.23 60.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -110.71 30.31 6.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.469 HD21 ' HG3' ' A' ' 82' ' ' ARG . 16.3 mt -85.63 121.13 27.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.896 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 11.0 mtm . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.816 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.88 0.371 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.683 HD22 ' HB3' ' A' ' 47' ' ' GLU . 5.4 mp -52.05 -51.92 54.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.956 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.45 -17.26 1.15 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.531 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.2 mttp -94.88 -28.36 15.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.709 0.29 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.5 HG23 ' HB2' ' A' ' 98' ' ' ARG . 62.4 mt -55.7 -59.03 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.153 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.468 ' CD1' HD13 ' A' ' 48' ' ' LEU . 66.8 mt -106.23 56.37 0.66 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -80.72 107.19 13.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.41 29.34 10.25 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.0 t -119.29 144.59 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 111.156 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.558 HG22 ' HE3' ' A' ' 51' ' ' LYS . 22.0 t -120.51 113.03 38.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.5 m -105.82 148.84 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.408 HG22 ' HB2' ' A' ' 53' ' ' ARG . 48.3 t -130.56 126.96 61.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.76 HD12 ' CE1' ' A' ' 52' ' ' TYR . 18.7 mt -87.55 124.94 34.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.7 t -141.47 105.44 4.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.812 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.6 50.09 1.73 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.488 ' HZ ' HG22 ' A' ' 64' ' ' ILE . 88.9 m-85 -125.35 161.83 26.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 0.0 110.868 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -140.05 124.83 18.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.491 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.3 OUTLIER -60.01 159.98 18.27 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.708 . . . . 0.0 110.901 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 54.1 Cg_endo -69.78 -27.33 6.89 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.336 -0.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 36' ' ' PRO . 13.6 t80 -36.76 -47.91 0.7 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -52.68 -55.9 19.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 95.2 p -59.23 -58.43 8.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -47.28 -51.91 17.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.4 tp -53.22 -48.64 67.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.513 ' HD2' ' CD2' ' A' ' 52' ' ' TYR . 27.0 ttp180 -57.21 -42.57 81.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -54.22 -59.51 4.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.515 ' HG3' ' CE1' ' A' ' 93' ' ' HIS . 1.7 mptp? -50.49 -45.65 56.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.651 ' HA ' HD12 ' A' ' 48' ' ' LEU . . . -55.26 -41.18 71.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.091 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.2 mt -63.33 -41.79 98.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.683 ' HB3' HD22 ' A' ' 19' ' ' LEU . 3.1 mp0 -56.56 -37.75 70.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.651 HD12 ' HA ' ' A' ' 45' ' ' ALA . 5.7 mt -70.88 -14.77 62.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.972 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.69 16.2 49.74 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.512 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.77 147.54 26.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.841 0.353 . . . . 0.0 111.07 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.558 ' HE3' HG22 ' A' ' 27' ' ' VAL . 32.9 mtmt -88.8 123.93 33.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.935 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.76 ' CE1' HD12 ' A' ' 30' ' ' LEU . 3.7 t80 -101.75 112.08 24.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.447 ' HE ' HG21 ' A' ' 57' ' ' THR . 32.1 mmm180 -107.63 143.53 27.45 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.61 0.719 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -12.53 33.18 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.721 2.28 . . . . 0.0 112.308 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -152.74 163.8 39.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.476 ' CZ2' HG13 ' A' ' 76' ' ' VAL . 72.8 t-105 -64.71 102.66 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.447 HG21 ' HE ' ' A' ' 53' ' ' ARG . 11.1 p -85.2 -175.85 5.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.13 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.26 -3.5 57.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -106.24 -15.47 14.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.827 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.407 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 64.1 m -51.58 129.17 25.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 71.5 p -110.63 -31.27 7.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.085 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -136.73 125.11 23.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.59 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.786 HD22 HG21 ' A' ' 76' ' ' VAL . 11.4 tp -95.07 114.1 25.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.99 -1.004 . . . . 0.0 110.857 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.606 HG23 ' HA ' ' A' ' 86' ' ' LYS . 43.8 mm -80.14 97.86 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 19.5 t -98.53 141.18 31.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.34 -33.82 23.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -160.96 145.1 13.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.57 -179.71 2.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.086 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 67.52 37.24 3.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.44 160.07 35.91 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.558 0.694 . . . . 0.0 111.156 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -29.91 23.35 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.668 2.245 . . . . 0.0 112.345 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.74 -26.72 27.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.691 ' CE1' HD12 ' A' ' 77' ' ' LEU . 3.0 t80 -63.82 -45.64 88.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.3 t -65.06 -47.48 77.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.843 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -47.41 -64.09 0.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.786 HG21 HD22 ' A' ' 63' ' ' LEU . 42.1 t -60.67 -14.86 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.691 HD12 ' CE1' ' A' ' 73' ' ' TYR . 4.6 tt -75.11 -46.25 35.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -72.08 -37.58 59.99 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.493 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 35.0 mt -58.07 -47.17 83.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.832 0.349 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 122.49 27.92 1.54 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -94.19 152.56 20.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -76.86 103.24 6.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.772 0.32 . . . . 0.0 110.911 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.61 HG12 HD23 ' A' ' 63' ' ' LEU . 21.0 mt -91.6 112.16 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.549 HG11 ' HB2' ' A' ' 101' ' ' SER . 17.4 m -126.21 167.46 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 29.7 mmm-85 -71.94 173.81 7.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.606 ' HA ' HG23 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -83.79 -33.82 24.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -47.21 -31.42 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 27.7 t90 -49.48 -49.74 44.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 89.4 t -65.33 -55.12 21.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.114 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 78.4 mt -49.14 -64.46 0.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -48.06 -48.74 33.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.8 m -53.67 -48.18 69.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.573 ' CD2' ' CD2' ' A' ' 19' ' ' LEU . 48.4 t-80 -67.32 -64.55 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.576 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -39.33 -54.22 1.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 28.3 mtm -80.8 -15.18 57.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.494 ' C ' HD11 ' A' ' 22' ' ' ILE . 60.3 mtm180 58.29 38.7 26.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -135.52 160.23 39.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.5 ' HB2' HG23 ' A' ' 22' ' ' ILE . 36.8 ttt-85 -88.6 117.23 27.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 26.1 mt -104.32 145.67 31.13 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.603 0.716 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 101.06 0.87 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.66 2.24 . . . . 0.0 112.357 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.549 ' HB2' HG11 ' A' ' 84' ' ' VAL . 24.0 p -43.51 -24.62 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.468 ' HA ' ' CD1' ' A' ' 105' ' ' LEU . 3.5 mp0 -52.83 -43.95 66.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -60.6 -17.54 47.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -117.51 34.64 5.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 102' ' ' GLN . 10.1 mt -84.37 109.92 18.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.927 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 12.3 mtm . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 179.873 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.919 0.39 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.852 HD22 ' HB3' ' A' ' 47' ' ' GLU . 5.5 mp -61.82 -47.37 85.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.49 -15.14 2.72 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.17 -19.27 16.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.757 0.313 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.559 HD11 ' C ' ' A' ' 96' ' ' ARG . 75.4 mt -63.31 -58.4 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.417 ' CD1' HD13 ' A' ' 48' ' ' LEU . 48.8 mt -110.34 49.06 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.02 116.9 12.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.35 31.92 32.71 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.511 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.2 t -117.16 146.73 21.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.84 0.353 . . . . 0.0 111.175 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.494 HG21 ' OD2' ' A' ' 59' ' ' ASP . 57.7 t -119.24 119.4 60.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.5 m -116.29 146.32 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.5 t -120.49 125.88 74.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.701 HD12 ' CE1' ' A' ' 52' ' ' TYR . 94.8 mt -83.2 117.57 23.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.514 ' O ' ' CD2' ' A' ' 33' ' ' PHE . 7.7 t -124.13 153.82 40.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 39.38 53.28 2.82 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.512 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.514 ' CD2' ' O ' ' A' ' 31' ' ' SER . 45.3 m-85 -124.59 150.3 46.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 0.0 110.86 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -140.78 136.15 32.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.509 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.6 OUTLIER -65.85 160.47 61.94 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.591 0.71 . . . . 0.0 110.895 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.6 Cg_endo -69.79 -27.47 6.82 Favored 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.325 -0.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' A' ' 36' ' ' PRO . 51.5 t80 -35.37 -49.9 0.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -53.13 -53.5 49.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.1 p -57.62 -47.67 81.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -57.13 -53.22 60.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 39.8 tp -60.75 -44.43 96.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.591 ' NH1' HD11 ' A' ' 46' ' ' LEU . 2.9 tmm_? -51.89 -44.45 63.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.465 ' HA ' HD12 ' A' ' 46' ' ' LEU . 7.0 t70 -59.99 -55.95 27.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -48.03 -51.23 24.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.27 -35.97 39.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.077 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.591 HD11 ' NH1' ' A' ' 42' ' ' ARG . 42.1 mt -70.07 -46.45 64.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.852 ' HB3' HD22 ' A' ' 19' ' ' LEU . 17.0 mm-40 -51.18 -44.96 61.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.526 ' CD1' HG13 ' A' ' 89' ' ' VAL . 8.9 mt -65.29 -17.13 64.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.43 30.45 9.89 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.498 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.23 152.24 20.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 111.08 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -92.1 122.69 34.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.701 ' CE1' HD12 ' A' ' 30' ' ' LEU . 1.3 t80 -97.28 108.55 21.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -105.06 143.26 26.37 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.623 0.725 . . . . 0.0 110.853 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -20.58 34.58 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.728 2.285 . . . . 0.0 112.32 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -143.97 159.05 43.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.553 ' CZ3' ' HB3' ' A' ' 60' ' ' SER . 62.4 t-105 -57.27 105.49 0.24 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.3 p -92.57 170.44 9.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -78.02 -1.61 33.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.494 ' OD2' HG21 ' A' ' 27' ' ' VAL . 30.2 t0 -108.43 -7.36 15.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.553 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 4.3 m -59.64 125.5 23.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.469 ' C ' ' ND1' ' A' ' 62' ' ' HIS . 22.0 p -108.31 -30.9 8.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.1 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.58 ' CD2' ' CH2' ' A' ' 88' ' ' TRP . 0.2 OUTLIER -135.13 126.66 28.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.541 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.579 HD23 HG12 ' A' ' 83' ' ' ILE . 20.4 tp -95.59 120.22 35.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.606 HG23 ' HA ' ' A' ' 86' ' ' LYS . 13.2 mm -93.38 91.31 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 6.7 t -94.45 145.34 24.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.86 -42.91 26.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -161.05 161.08 31.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.53 -178.07 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 57.38 51.98 9.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.7 p -127.88 157.24 74.29 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.6 0.714 . . . . 0.0 111.115 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -18.81 37.09 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.676 2.25 . . . . 0.0 112.341 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -94.12 -31.94 13.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.532 ' CE2' HD12 ' A' ' 77' ' ' LEU . 73.5 t80 -56.99 -58.66 7.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.8 t -61.97 -49.08 77.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.802 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -43.36 -58.15 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.516 HG21 HD22 ' A' ' 63' ' ' LEU . 39.3 t -71.09 -14.97 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.532 HD12 ' CE2' ' A' ' 73' ' ' TYR . 2.2 tt -72.05 -52.17 18.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.95 -39.74 93.33 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.484 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 43.5 mt -53.9 -43.58 69.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.88 0.372 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 114.79 29.66 2.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.47 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -93.11 174.63 35.71 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.422 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.512 HH21 ' CE1' ' A' ' 62' ' ' HIS . 13.7 ttp-105 -97.79 105.27 17.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.328 . . . . 0.0 110.909 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.579 HG12 HD23 ' A' ' 63' ' ' LEU . 22.4 mt -91.97 113.48 27.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.585 HG11 ' HB2' ' A' ' 101' ' ' SER . 16.8 m -128.43 151.13 34.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.096 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.9 mtp180 -64.59 171.18 3.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.606 ' HA ' HG23 ' A' ' 64' ' ' ILE . 14.4 pttp -76.39 -23.48 54.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.496 ' HA ' HD12 ' A' ' 90' ' ' LEU . 16.1 mm-40 -50.42 -38.59 43.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.58 ' CH2' ' CD2' ' A' ' 62' ' ' HIS . 27.2 t90 -46.58 -43.02 16.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.526 HG13 ' CD1' ' A' ' 48' ' ' LEU . 93.5 t -72.91 -58.66 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.162 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 87' ' ' GLU . 13.1 mt -42.51 -71.36 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -44.5 -47.69 10.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.8 m -55.56 -43.74 76.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.443 ' CD2' ' CD2' ' A' ' 19' ' ' LEU . 18.6 t-80 -72.21 -63.59 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.584 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.7 tpp85 -42.44 -44.69 4.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.452 ' CB ' ' HG2' ' A' ' 97' ' ' ARG . 5.0 mtm -91.22 -11.49 38.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.559 ' C ' HD11 ' A' ' 22' ' ' ILE . 27.5 mtm-85 50.95 42.31 28.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.452 ' HG2' ' CB ' ' A' ' 95' ' ' MET . 5.1 ptp180 -137.1 158.75 43.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 17.0 ttt-85 -85.33 107.02 17.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.6 mt -102.33 148.86 36.04 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.561 0.695 . . . . 0.0 110.941 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 129.28 17.27 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.705 2.27 . . . . 0.0 112.281 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.585 ' HB2' HG11 ' A' ' 84' ' ' VAL . 64.6 p -71.09 -10.5 59.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -54.89 -53.53 54.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.584 ' HG3' ' CD2' ' A' ' 104' ' ' TYR . 3.3 ptp180 -63.22 -12.26 27.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.584 ' CD2' ' HG3' ' A' ' 103' ' ' ARG . 81.3 m-85 -112.81 28.03 9.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.0 mt -79.99 125.69 30.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.3 mtp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.853 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.795 ' HG2' HD12 ' A' ' 19' ' ' LEU . 6.2 pt-20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.849 0.357 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.795 HD12 ' HG2' ' A' ' 18' ' ' GLU . 5.5 mp -61.42 -55.8 27.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.47 -17.61 2.02 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.503 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.9 mmtm -89.73 -26.85 20.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.692 0.282 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.492 HD11 ' O ' ' A' ' 96' ' ' ARG . 45.8 mt -57.51 -57.71 9.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.6 mt -106.76 57.3 0.64 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.939 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -78.88 112.54 16.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.6 23.69 41.98 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.8 t -110.5 146.24 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 0.0 111.103 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.417 HG22 ' HB2' ' A' ' 51' ' ' LYS . 65.0 t -124.06 115.0 43.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.1 m -105.25 153.95 6.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.174 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.9 t -128.47 125.85 64.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.0 mt -87.06 119.1 26.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.963 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 85.3 p -129.53 133.13 47.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 67.0 43.34 91.41 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.492 ' CE1' ' HB2' ' A' ' 66' ' ' ALA . 64.5 m-85 -126.28 150.68 48.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 0.0 110.861 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.4 pm0 -140.23 140.57 35.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.54 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 1.2 p-10 -62.31 154.17 72.45 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.564 0.697 . . . . 0.0 110.944 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.7 Cg_endo -69.79 -26.41 7.44 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.363 -0.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.435 ' C ' ' O ' ' A' ' 36' ' ' PRO . 1.7 t80 -34.85 -50.34 0.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -54.68 -47.71 73.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 36' ' ' PRO . 1.5 t -61.63 -48.53 80.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -56.49 -48.08 77.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.459 ' CD1' ' CE1' ' A' ' 33' ' ' PHE . 10.3 mt -61.76 -57.63 11.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -52.11 -46.7 65.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -53.32 -59.19 4.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -56.79 -38.24 72.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.33 -35.01 76.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.0 mt -69.42 -39.78 77.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.607 ' HB3' HD22 ' A' ' 19' ' ' LEU . 14.7 mm-40 -52.52 -52.17 56.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.4 mt -57.37 -18.77 19.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.04 22.12 23.71 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.34 154.84 17.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 111.127 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.417 ' HB2' HG22 ' A' ' 27' ' ' VAL . 14.2 mtpt -91.12 142.26 27.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -111.71 112.25 23.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -115.38 143.81 31.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.556 0.693 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -12.85 33.79 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.655 2.237 . . . . 0.0 112.374 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' A' ' 56' ' ' TRP . 7.5 t70 -151.72 169.65 21.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.588 ' CZ2' ' O ' ' A' ' 60' ' ' SER . 70.3 t-105 -74.58 121.92 22.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.7 p -110.31 -178.02 3.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.153 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.5 ptt85 -74.68 -4.53 37.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -110.45 -23.09 11.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.588 ' O ' ' CZ2' ' A' ' 56' ' ' TRP . 4.0 m -51.8 106.36 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.825 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.8 p -85.81 -45.09 11.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.137 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -122.42 148.01 45.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.57 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.675 HD23 HG23 ' A' ' 83' ' ' ILE . 3.7 tp -118.0 128.62 54.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.99 -1.004 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.5 mm -89.14 91.62 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 42.3 t -95.49 114.06 25.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.492 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . . . -67.27 -35.19 78.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -161.17 142.5 11.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.71 -175.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.102 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.3 m120 64.33 26.14 13.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -110.5 159.9 30.52 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.566 0.698 . . . . 0.0 111.156 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -19.33 36.29 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.733 2.289 . . . . 0.0 112.293 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.06 -18.24 24.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.866 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -76.41 -48.84 18.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.5 m -73.16 -31.68 64.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.838 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -61.17 -60.39 3.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.495 HG21 HD13 ' A' ' 63' ' ' LEU . 39.3 t -67.04 -14.96 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.569 ' CA ' HD11 ' A' ' 83' ' ' ILE . 37.8 tp -78.61 -50.44 11.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -62.05 -32.93 84.01 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 76' ' ' VAL . 9.1 mt -71.11 -57.52 4.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.801 0.334 . . . . 0.0 110.93 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 131.16 28.8 0.63 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -87.66 173.73 43.96 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.521 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.549 ' HG3' HD21 ' A' ' 105' ' ' LEU . 8.1 ttm180 -88.21 94.82 9.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 110.863 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.675 HG23 HD23 ' A' ' 63' ' ' LEU . 35.1 mt -84.26 120.61 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.109 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.408 HG11 ' HB2' ' A' ' 101' ' ' SER . 15.7 m -138.65 176.59 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.117 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -94.88 -178.13 4.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.4 pttm -77.48 -29.65 52.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -43.78 -32.24 1.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 19.9 t90 -58.99 -60.11 4.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 95.7 t -59.64 -52.36 61.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 28.4 mt -49.68 -57.36 7.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.453 ' HB3' HD11 ' A' ' 99' ' ' LEU . 3.8 m-20 -62.18 -41.6 98.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 2.8 m -56.4 -44.86 80.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -76.84 -60.77 2.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.57 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -43.27 -33.93 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 5.5 mtm -104.8 -11.84 16.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.492 ' O ' HD11 ' A' ' 22' ' ' ILE . 51.1 mtm180 52.54 41.83 31.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -137.82 166.11 24.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.477 ' HB2' HG23 ' A' ' 22' ' ' ILE . 47.4 ttt85 -92.63 115.3 27.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.453 HD11 ' HB3' ' A' ' 91' ' ' ASP . 58.0 mt -103.03 144.01 27.77 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.614 0.721 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 93.4 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 2.245 . . . . 0.0 112.352 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.408 ' HB2' HG11 ' A' ' 84' ' ' VAL . 16.2 p -49.6 -21.17 0.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -53.78 -25.11 17.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -92.45 -14.75 28.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -107.23 23.16 14.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.549 HD21 ' HG3' ' A' ' 82' ' ' ARG . 63.1 mt -84.2 133.39 34.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.934 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.4 mtm . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 179.841 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.875 0.369 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.697 HD22 ' HB3' ' A' ' 47' ' ' GLU . 5.6 mp -59.21 -49.16 78.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 47' ' ' GLU . . . -47.84 -18.61 0.74 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.458 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.6 mttp -90.07 -29.45 18.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.757 0.313 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.43 HD12 HD23 ' A' ' 48' ' ' LEU . 74.9 mt -52.49 -57.71 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.118 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.8 mt -109.38 47.91 0.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.963 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -68.9 113.15 6.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.89 36.56 9.08 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.446 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.429 HG12 ' N ' ' A' ' 27' ' ' VAL . 84.7 t -120.34 153.82 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.361 . . . . 0.0 111.091 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.429 ' N ' HG12 ' A' ' 26' ' ' VAL . 65.9 t -128.2 115.96 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.6 m -112.16 169.78 4.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.1 t -144.36 125.21 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.697 HD12 ' CE1' ' A' ' 52' ' ' TYR . 64.0 mt -82.08 117.71 22.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.2 t -127.84 134.29 49.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 67.4 42.09 90.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.541 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -120.32 151.68 38.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.782 0.325 . . . . 0.0 110.908 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -142.86 123.28 13.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.546 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 11.7 p-10 -50.8 153.84 2.72 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.64 0.733 . . . . 0.0 110.904 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 54.3 Cg_endo -69.75 -26.2 7.54 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.399 -0.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.458 ' C ' ' O ' ' A' ' 36' ' ' PRO . 15.8 t80 -34.04 -60.69 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -45.75 -53.25 9.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.0 t -58.03 -58.66 7.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -45.09 -47.81 11.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.515 HD23 HD22 ' A' ' 30' ' ' LEU . 57.0 tp -64.76 -46.5 81.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.604 ' CZ ' ' CD2' ' A' ' 52' ' ' TYR . 9.9 tpt180 -44.51 -53.7 6.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -55.99 -54.66 42.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -46.38 -49.44 17.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.654 ' HA ' HD12 ' A' ' 48' ' ' LEU . . . -62.06 -41.69 98.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.085 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.9 -43.29 98.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.697 ' HB3' HD22 ' A' ' 19' ' ' LEU . 4.6 mm-40 -53.69 -48.83 69.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' A' ' 45' ' ' ALA . 4.4 mt -58.24 -23.48 56.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.63 26.81 8.35 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.99 151.57 20.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.834 0.349 . . . . 0.0 111.112 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.451 ' HD2' ' N ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -85.18 130.98 34.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.697 ' CE1' HD12 ' A' ' 30' ' ' LEU . 7.1 t80 -103.05 107.15 17.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.457 ' HD2' HG21 ' A' ' 57' ' ' THR . 15.5 mmt180 -105.62 140.82 21.56 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.625 0.726 . . . . 0.0 110.874 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.77 -16.7 37.63 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -149.4 162.41 40.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.478 ' CZ3' ' HB3' ' A' ' 60' ' ' SER . 55.5 t-105 -63.94 99.95 0.28 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.457 HG21 ' HD2' ' A' ' 53' ' ' ARG . 48.9 p -93.88 -179.73 5.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.12 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.07 -32.95 67.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.401 ' HB3' HG21 ' A' ' 27' ' ' VAL . 45.8 m-20 -74.34 -17.76 60.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.478 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 17.5 m -53.18 118.14 3.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.7 p -107.35 -36.68 6.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.163 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -126.41 143.05 51.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.607 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.491 HD22 ' CB ' ' A' ' 76' ' ' VAL . 15.7 tp -109.36 117.43 34.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.561 HG23 ' HA ' ' A' ' 86' ' ' LYS . 25.8 mm -87.05 89.7 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 36.0 t -94.61 138.19 32.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.69 -41.11 46.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -160.53 155.12 23.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.84 -177.88 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 63.95 33.29 12.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.59 157.49 44.16 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.584 0.707 . . . . 0.0 111.18 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -17.31 37.74 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.698 2.265 . . . . 0.0 112.333 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.5 tptp -97.17 -15.66 20.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -78.63 -44.13 24.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.9 m -76.32 -34.14 59.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -59.62 -61.3 2.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.491 ' CB ' HD22 ' A' ' 63' ' ' LEU . 39.8 t -63.98 -15.0 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.103 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.611 ' CA ' HD11 ' A' ' 83' ' ' ILE . 59.2 tp -75.82 -46.38 30.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.47 -37.32 92.58 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.467 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 76' ' ' VAL . 20.7 mt -61.62 -42.87 99.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.808 0.337 . . . . 0.0 110.891 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 111.84 37.86 1.49 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.515 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -99.84 163.84 19.54 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.511 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 17.0 ttm-85 -76.03 95.12 3.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.351 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.611 HD11 ' CA ' ' A' ' 77' ' ' LEU . 67.2 mt -85.83 112.96 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.624 HG11 ' OG ' ' A' ' 101' ' ' SER . 30.8 m -129.88 153.97 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.403 ' HG2' ' CE ' ' A' ' 106' ' ' MET . 98.9 mtt180 -74.67 159.26 32.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.561 ' HA ' HG23 ' A' ' 64' ' ' ILE . 17.5 pttm -59.94 -39.07 84.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.549 ' HA ' HD12 ' A' ' 90' ' ' LEU . 27.7 tt0 -38.37 -41.3 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.49 ' HA ' ' CE2' ' A' ' 104' ' ' TYR . 25.0 t90 -43.94 -46.03 7.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 95.7 t -72.05 -51.68 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 87' ' ' GLU . 46.5 mt -47.11 -68.37 0.2 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.417 ' HB3' ' CD1' ' A' ' 99' ' ' LEU . 0.5 OUTLIER -51.07 -56.47 12.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 19.7 m -46.18 -41.75 13.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -71.78 -63.26 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.638 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -38.49 -57.29 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.825 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 12.5 mtm -78.28 -24.55 46.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.411 ' C ' HD11 ' A' ' 22' ' ' ILE . 64.7 mtt85 63.74 42.65 6.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -143.89 153.47 42.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.4 121.58 17.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.417 ' CD1' ' HB3' ' A' ' 91' ' ' ASP . 96.3 mt -111.7 153.02 44.49 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.638 0.733 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 100.83 0.85 Allowed 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.693 2.262 . . . . 0.0 112.359 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.624 ' OG ' HG11 ' A' ' 84' ' ' VAL . 1.1 t -58.1 -27.86 64.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -40.05 -57.68 1.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -57.05 -28.18 62.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.49 ' CE2' ' HA ' ' A' ' 88' ' ' TRP . 69.9 m-85 -80.58 -32.13 36.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.532 HD23 HG12 ' A' ' 84' ' ' VAL . 68.4 mt -45.18 108.17 0.12 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.403 ' CE ' ' HG2' ' A' ' 85' ' ' ARG . 5.0 mtm . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.891 0.377 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.741 HD22 ' HB3' ' A' ' 47' ' ' GLU . 5.0 mp -71.85 -36.79 70.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.95 -9.05 9.28 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt -102.51 4.77 38.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.768 0.318 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.0 mt -89.13 -57.98 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.427 ' CD1' HD13 ' A' ' 48' ' ' LEU . 78.1 mt -110.81 41.42 1.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -64.31 129.75 41.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.85 25.45 67.05 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.464 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.414 HG12 ' N ' ' A' ' 27' ' ' VAL . 65.5 t -117.51 153.48 19.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.916 0.389 . . . . 0.0 111.094 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.414 ' N ' HG12 ' A' ' 26' ' ' VAL . 55.0 t -126.84 141.27 46.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.8 m -133.72 141.34 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.147 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.6 t -116.62 126.15 73.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.155 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.81 HD21 HD12 ' A' ' 41' ' ' LEU . 96.7 mt -84.92 132.23 34.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.0 m -151.46 133.86 15.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.59 48.55 61.79 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.521 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.474 ' CZ ' HG22 ' A' ' 64' ' ' ILE . 42.3 m-85 -127.64 155.36 44.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 0.0 110.886 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -137.23 140.53 41.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.5 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 13.8 m-80 -65.36 160.93 54.83 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.622 0.725 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.4 Cg_endo -69.75 -29.18 5.84 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.648 -1.813 . . . . 0.0 112.329 -0.104 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.719 ' CZ ' HD23 ' A' ' 41' ' ' LEU . 11.1 t80 -35.37 -52.66 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 37' ' ' PHE . 9.7 tpp85 -35.41 -50.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.2 t -67.13 -55.63 13.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -43.46 -44.27 5.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.81 HD12 HD21 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -53.8 -54.22 41.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.956 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.52 ' HD2' ' CD2' ' A' ' 52' ' ' TYR . 29.5 ttp180 -60.39 -58.55 8.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -41.28 -51.4 3.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.499 ' HG2' ' CG ' ' A' ' 93' ' ' HIS . 43.2 mttp -66.17 -39.81 90.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.91 -33.29 75.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 69.9 mt -68.5 -49.23 61.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.963 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.741 ' HB3' HD22 ' A' ' 19' ' ' LEU . 12.0 mm-40 -49.68 -49.83 45.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.427 HD13 ' CD1' ' A' ' 23' ' ' LEU . 11.7 mt -57.58 -18.46 19.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.21 13.11 43.38 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.518 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.5 141.7 28.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.368 . . . . 0.0 111.067 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -85.3 128.41 34.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.806 ' CE1' HD12 ' A' ' 30' ' ' LEU . 3.8 t80 -95.89 127.91 42.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -123.67 144.63 44.99 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.608 0.718 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -24.32 29.62 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.716 2.278 . . . . 0.0 112.301 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -147.68 170.57 17.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.592 ' CZ2' HG13 ' A' ' 76' ' ' VAL . 31.2 t-105 -59.27 139.11 57.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.8 p -133.87 156.59 47.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.156 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.406 ' HD3' ' C ' ' A' ' 58' ' ' ARG . 2.9 tmt_? -57.81 -29.05 64.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.71 -11.31 56.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.446 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 68.0 m -56.85 123.16 14.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 51.3 p -106.0 -41.38 5.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -128.32 152.08 48.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.624 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.622 HD22 HG21 ' A' ' 76' ' ' VAL . 11.3 tp -122.14 128.38 51.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.977 -1.011 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.474 HG22 ' CZ ' ' A' ' 33' ' ' PHE . 20.4 mm -90.82 98.01 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 23.4 t -100.49 144.53 29.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.93 -30.86 16.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.111 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -164.54 156.23 15.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.26 -175.46 1.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.113 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 61.39 32.34 19.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.1 p -109.79 157.12 38.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.612 0.72 . . . . 0.0 111.17 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -19.92 35.64 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.651 2.234 . . . . 0.0 112.355 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.0 tptp -96.19 -9.21 31.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.432 ' HD1' HG21 ' A' ' 83' ' ' ILE . 34.2 t80 -79.35 -45.7 19.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -78.27 -36.2 47.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.849 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 19.8 tp60 -55.5 -51.54 66.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.622 HG21 HD22 ' A' ' 63' ' ' LEU . 38.6 t -78.89 -14.93 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.172 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 38.8 tp -69.02 -44.07 73.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -74.98 -36.91 45.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.465 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.543 HD13 ' CD1' ' A' ' 56' ' ' TRP . 67.9 mt -54.95 -41.87 71.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.87 0.367 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 116.04 21.38 4.93 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.479 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -85.2 167.14 41.15 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.479 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -91.33 98.23 11.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.826 0.345 . . . . 0.0 110.895 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.432 HG21 ' HD1' ' A' ' 73' ' ' TYR . 33.1 mt -85.0 115.05 26.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.0 m -134.67 160.17 41.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -79.05 167.01 21.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.6 pttt -65.07 -31.99 73.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.0 -28.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 23.2 t90 -62.8 -49.2 75.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 71.4 t -70.12 -48.91 59.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.077 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 58.5 mt -47.42 -59.27 3.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -61.01 -46.47 90.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 17.4 m -52.37 -37.23 55.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.499 ' CG ' ' HG2' ' A' ' 44' ' ' LYS . 59.3 t-80 -80.43 -57.7 3.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.563 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -44.74 -39.15 4.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 32.0 mtm -102.0 -10.52 19.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.9 mtm-85 48.3 42.9 18.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.1 ptp85 -139.39 154.83 47.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -69.47 121.06 16.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.819 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 84.1 mt -111.65 144.07 29.86 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.619 0.723 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 109.2 2.26 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.35 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.6 p -64.73 -13.18 53.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -61.69 -25.6 67.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 16.2 mtt85 -86.81 -24.74 24.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -103.9 28.87 6.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 105' ' ' LEU . 12.5 mt -78.1 128.28 33.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.7 mtp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.83 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.908 0.385 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.617 HD13 HD12 ' A' ' 22' ' ' ILE . 4.3 mm? -79.53 -48.75 13.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.9 -16.37 5.85 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.458 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.07 -22.36 22.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.792 0.33 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.617 HD12 HD13 ' A' ' 19' ' ' LEU . 37.2 mt -62.94 -58.33 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.142 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.1 mt -109.37 39.96 1.96 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -60.15 124.12 19.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.85 32.27 53.93 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.462 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.5 t -116.35 150.36 18.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 111.13 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -130.52 116.97 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.3 m -110.1 140.52 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.9 t -117.65 125.42 74.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.14 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.453 HD22 HD23 ' A' ' 41' ' ' LEU . 66.3 mt -82.11 126.98 32.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 t -152.43 107.49 3.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.824 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.04 40.2 2.91 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.567 ' HZ ' HG22 ' A' ' 64' ' ' ILE . 66.3 m-85 -126.59 163.65 22.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -141.56 123.86 15.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.491 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -55.5 160.7 3.56 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 110.902 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 54.0 Cg_endo -69.75 -11.0 11.75 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.375 -0.066 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -39.17 -54.13 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 35' ' ' ASN . 37.5 mtp180 -44.12 -68.49 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.3 m -44.58 -62.59 1.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -43.57 -50.93 7.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.453 HD23 HD22 ' A' ' 30' ' ' LEU . 44.5 tp -57.69 -64.67 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.567 ' HG3' ' CD2' ' A' ' 52' ' ' TYR . 16.9 ttt180 -37.86 -54.8 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -43.69 -66.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.6 mttt -49.34 -42.04 40.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.63 -40.26 87.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.7 mt -63.78 -35.76 81.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -56.92 -51.17 70.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.553 HD23 HD12 ' A' ' 19' ' ' LEU . 12.6 mt -59.46 -11.93 5.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.34 20.09 43.02 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.479 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.31 147.19 23.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 0.0 111.133 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -91.71 128.71 37.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.567 ' CD2' ' HG3' ' A' ' 42' ' ' ARG . 0.4 OUTLIER -98.17 109.86 22.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 -105.53 142.91 25.74 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.618 0.723 . . . . 0.0 110.844 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -16.89 37.71 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.713 2.275 . . . . 0.0 112.346 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.8 p30 -148.65 163.32 37.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.623 ' CE2' HG13 ' A' ' 76' ' ' VAL . 61.6 t-105 -71.04 105.08 3.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 78.9 p -91.27 -178.52 5.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.149 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -82.42 1.0 39.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -110.78 -9.89 14.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.56 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 39.9 m -55.16 129.76 39.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.826 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 72.7 p -109.5 -32.27 7.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.116 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.568 ' CD2' ' HD2' ' A' ' 82' ' ' ARG . 3.7 m80 -138.44 144.56 40.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.581 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.527 ' HB2' ' CZ3' ' A' ' 56' ' ' TRP . 20.8 tp -114.46 122.84 47.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.999 -1.001 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.567 HG22 ' HZ ' ' A' ' 33' ' ' PHE . 23.8 mm -89.1 91.06 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 34.3 t -93.08 144.2 25.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.6 -31.46 19.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.069 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -163.2 151.05 13.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.44 -178.0 1.02 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.123 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 31.9 m-20 61.75 51.83 3.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.7 p -128.7 157.1 76.31 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.591 0.71 . . . . 0.0 111.115 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -19.18 36.41 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.654 2.236 . . . . 0.0 112.362 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.2 tptp -94.89 -32.66 13.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.588 ' CE1' HD12 ' A' ' 77' ' ' LEU . 14.0 t80 -57.03 -57.85 10.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 t -60.9 -52.46 64.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.839 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -43.3 -58.88 2.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.937 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.623 HG13 ' CE2' ' A' ' 56' ' ' TRP . 39.2 t -67.21 -15.01 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.588 HD12 ' CE1' ' A' ' 73' ' ' TYR . 3.3 tt -75.19 -47.96 25.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.95 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.64 -36.29 67.49 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.9 mt -55.39 -46.88 76.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.857 0.36 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 121.41 30.18 1.33 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.487 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -97.3 168.56 24.35 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.45 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.568 ' HD2' ' CD2' ' A' ' 62' ' ' HIS . 10.7 ttm180 -89.93 97.85 11.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.78 0.324 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.447 HD11 ' CA ' ' A' ' 77' ' ' LEU . 65.9 mt -84.87 112.86 22.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.167 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.3 m -126.19 164.81 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 25.1 mtt85 -83.55 166.64 18.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.501 ' HA ' HG23 ' A' ' 64' ' ' ILE . 20.2 pttp -65.12 -44.24 89.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.531 ' HA ' HD12 ' A' ' 90' ' ' LEU . 0.7 OUTLIER -42.25 -28.87 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 23.8 t90 -50.59 -51.26 50.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 66.7 t -68.73 -50.06 58.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 87' ' ' GLU . 34.7 mt -49.64 -59.63 3.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -59.54 -57.88 11.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 96' ' ' ARG . 15.9 m -42.0 -55.66 3.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.411 ' O ' ' N ' ' A' ' 96' ' ' ARG . 44.5 t-80 -57.5 -59.81 4.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.631 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.3 tpt85 -39.8 -59.99 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 5.5 mtm -77.56 -12.18 59.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.535 ' HD3' HD21 ' A' ' 19' ' ' LEU . 70.3 mtt-85 50.34 46.94 24.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -147.8 164.46 33.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -79.7 98.96 7.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 47.1 mt -83.61 153.87 65.03 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.646 0.736 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 100.94 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.715 2.277 . . . . 0.0 112.351 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.1 t -58.47 -31.1 67.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.639 ' HA ' HD12 ' A' ' 105' ' ' LEU . 6.2 pt20 -47.5 -31.99 4.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -73.21 -30.05 63.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -97.32 -13.88 21.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.639 HD12 ' HA ' ' A' ' 102' ' ' GLN . 22.7 mt -52.77 107.51 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.4 mtp . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.838 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.886 0.374 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.49 HD22 ' HB3' ' A' ' 47' ' ' GLU . 5.1 mp -59.54 -37.76 79.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.61 -13.19 22.83 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.491 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -93.84 -0.46 55.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.773 0.32 . . . . 0.0 110.942 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.48 HD13 ' CA ' ' A' ' 97' ' ' ARG . 7.1 mt -83.0 -57.85 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.424 ' CD1' HD13 ' A' ' 48' ' ' LEU . 50.7 mt -110.89 43.11 1.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -68.06 120.84 14.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.0 29.17 23.78 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.452 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.5 t -122.09 147.29 26.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.84 0.352 . . . . 0.0 111.125 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.4 t -123.47 117.72 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.554 HG21 ' HB1' ' A' ' 45' ' ' ALA . 3.1 m -108.12 133.76 52.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.3 t -110.78 123.45 66.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.761 HD22 HD23 ' A' ' 41' ' ' LEU . 81.3 mt -82.99 116.68 22.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.9 t -142.66 106.24 4.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.468 ' O ' ' CB ' ' A' ' 66' ' ' ALA . . . 106.91 34.4 3.01 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.698 ' CZ ' HG22 ' A' ' 64' ' ' ILE . 66.9 m-85 -127.52 160.95 29.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 0.0 110.855 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.485 ' O ' ' CB ' ' A' ' 37' ' ' PHE . 40.3 tt0 -137.05 129.33 29.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.552 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 8.2 p30 -53.77 151.71 11.09 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.621 0.724 . . . . 0.0 110.931 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.8 Cg_endo -69.75 -15.24 12.47 Favored 'Cis proline' 0 C--N 1.341 0.146 0 C-N-CA 122.748 -1.772 . . . . 0.0 112.325 0.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.485 ' CB ' ' O ' ' A' ' 34' ' ' GLN . 2.0 t80 -36.84 -47.51 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.477 ' HG3' ' N ' ' A' ' 35' ' ' ASN . 25.8 mtt180 -51.23 -70.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.6 t -48.12 -57.21 6.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -46.68 -50.36 17.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.761 HD23 HD22 ' A' ' 30' ' ' LEU . 10.0 tp -55.78 -48.88 74.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.547 ' HD2' ' CD2' ' A' ' 52' ' ' TYR . 26.0 ttt180 -60.82 -55.36 34.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -40.12 -57.2 1.73 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.464 ' HG2' ' ND1' ' A' ' 93' ' ' HIS . 66.1 mttt -59.55 -43.42 93.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.554 ' HB1' HG21 ' A' ' 28' ' ' VAL . . . -61.32 -32.69 72.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 72.6 mt -70.74 -43.54 68.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.49 ' HB3' HD22 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -51.02 -54.0 28.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.424 HD13 ' CD1' ' A' ' 23' ' ' LEU . 20.6 mt -53.19 -23.19 7.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.75 23.77 7.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.545 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.25 150.33 22.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 111.095 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.27 143.07 26.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.547 ' CD2' ' HD2' ' A' ' 42' ' ' ARG . 5.0 t80 -108.18 114.7 28.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.0 mmp_? -103.13 143.75 27.24 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.625 0.726 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -19.51 35.99 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.639 2.226 . . . . 0.0 112.353 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -159.37 164.34 34.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.635 ' CZ2' HG13 ' A' ' 76' ' ' VAL . 67.0 t-105 -62.2 116.59 5.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.2 t -123.14 172.71 8.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.144 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -64.2 -13.86 51.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.23 -6.39 38.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.836 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.488 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 72.5 m -78.21 118.14 20.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 72.3 p -94.91 -56.3 2.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.135 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.506 ' CE1' HH21 ' A' ' 82' ' ' ARG . 1.0 OUTLIER -112.02 141.06 46.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.614 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.545 HD23 HG23 ' A' ' 83' ' ' ILE . 6.0 tp -107.55 117.89 35.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.945 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.698 HG22 ' CZ ' ' A' ' 33' ' ' PHE . 45.8 mm -81.41 91.06 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.077 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 49.6 t -89.39 127.04 35.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.628 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . . . -75.82 -30.14 58.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -166.07 148.21 7.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.55 -175.02 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 60.01 41.94 16.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -121.15 159.69 48.48 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.558 0.694 . . . . 0.0 111.145 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -32.42 18.81 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.684 2.256 . . . . 0.0 112.378 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -82.68 -28.68 30.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -62.48 -43.61 98.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 m -82.98 -10.49 58.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -79.62 -33.63 41.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.937 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.635 HG13 ' CZ2' ' A' ' 56' ' ' TRP . 39.8 t -93.59 -14.91 8.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.5 ' CA ' HD11 ' A' ' 83' ' ' ILE . 51.0 tp -70.92 -38.71 72.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -79.46 -38.82 20.13 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.456 HD13 ' NE1' ' A' ' 56' ' ' TRP . 39.3 mt -55.47 -49.06 73.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.343 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 129.88 11.15 2.67 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.484 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -81.76 165.26 45.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.494 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.506 HH21 ' CE1' ' A' ' 62' ' ' HIS . 11.4 ttp180 -90.72 113.06 25.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 0.0 110.831 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.545 HG23 HD23 ' A' ' 63' ' ' LEU . 18.6 mt -95.39 115.22 33.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 16.4 m -131.66 159.1 43.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.148 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 -75.1 177.49 6.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.7 pttm -78.83 -31.92 45.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -41.86 -30.44 0.25 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 26.1 t90 -59.39 -47.44 85.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.959 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 80.0 t -71.68 -55.76 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 77.8 mt -44.22 -55.12 5.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.49 ' HB3' HD11 ' A' ' 99' ' ' LEU . 4.4 m-20 -64.41 -45.29 88.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 3.7 m -50.1 -49.03 52.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.469 ' O ' ' N ' ' A' ' 96' ' ' ARG . 21.8 t-80 -72.56 -60.82 2.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.602 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.8 tpt85 -40.88 -38.04 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 4.4 mtm -97.88 -15.22 20.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 93' ' ' HIS . 37.3 mtt180 55.09 45.39 26.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.48 ' CA ' HD13 ' A' ' 22' ' ' ILE . 9.2 ptp180 -145.27 -179.76 6.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 59.8 ttt-85 -99.85 117.52 34.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.49 HD11 ' HB3' ' A' ' 91' ' ' ASP . 74.2 mt -107.11 149.67 38.92 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.652 0.739 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 108.24 2.04 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.682 2.254 . . . . 0.0 112.386 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.4 p -63.44 -15.94 59.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -61.95 -29.75 70.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -77.47 -29.83 52.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -96.66 22.33 8.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.2 mt -69.07 128.19 35.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.3 mmt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.884 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.891 0.377 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.416 ' N ' HD22 ' A' ' 19' ' ' LEU . 3.9 mm? -73.07 -43.56 61.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.941 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.96 -17.06 34.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -86.9 -3.64 59.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.76 0.314 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.408 HD12 HD23 ' A' ' 48' ' ' LEU . 49.5 mt -87.41 -56.88 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 23' ' ' LEU . 16.8 mt -105.56 38.26 2.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -62.22 113.34 2.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.17 29.51 14.7 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 27' ' ' VAL . 95.8 t -120.23 153.07 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.89 0.376 . . . . 0.0 111.108 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.419 ' N ' HG12 ' A' ' 26' ' ' VAL . 48.0 t -132.33 127.87 57.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.076 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.4 m -117.78 153.93 19.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 63.1 t -125.73 129.91 72.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.758 HD12 ' CE1' ' A' ' 52' ' ' TYR . 82.6 mt -84.09 128.67 34.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 82.5 p -147.87 126.84 12.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 73.39 42.91 39.97 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.619 ' CE1' ' HB2' ' A' ' 66' ' ' ALA . 41.3 m-85 -128.48 152.62 48.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.331 . . . . 0.0 110.881 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -139.78 142.82 36.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.941 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.507 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.4 OUTLIER -66.08 160.48 63.48 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.603 0.716 . . . . 0.0 110.911 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.8 Cg_endo -69.77 -33.43 3.42 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.385 -0.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.675 ' CZ ' HD12 ' A' ' 41' ' ' LEU . 75.4 t80 -35.37 -53.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 37' ' ' PHE . 10.0 ttt180 -36.77 -50.12 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.2 m -72.94 -36.91 67.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 37' ' ' PHE . 40.9 tt0 -54.48 -51.77 64.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.675 HD12 ' CZ ' ' A' ' 37' ' ' PHE . 1.7 tt -60.66 -60.78 3.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.624 ' HB2' HD11 ' A' ' 30' ' ' LEU . 19.3 ttt-85 -39.8 -59.12 1.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.402 ' HA ' HD12 ' A' ' 46' ' ' LEU . 38.4 t0 -47.24 -49.92 22.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -60.09 -47.93 83.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.67 -38.09 74.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.072 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 43' ' ' ASP . 71.0 mt -62.83 -45.22 93.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -48.26 -54.19 14.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.408 HD23 HD12 ' A' ' 22' ' ' ILE . 24.2 mt -50.72 -18.51 0.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 100.84 20.35 14.67 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.443 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.18 144.51 26.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 0.0 111.105 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -85.15 139.7 31.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.758 ' CE1' HD12 ' A' ' 30' ' ' LEU . 6.2 t80 -101.19 118.23 36.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -108.17 143.85 28.23 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.614 0.721 . . . . 0.0 110.843 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -11.47 30.91 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.654 2.236 . . . . 0.0 112.323 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -168.13 172.6 8.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.571 ' CE2' HG13 ' A' ' 76' ' ' VAL . 67.8 t-105 -67.08 113.05 4.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.419 ' OG1' ' N ' ' A' ' 58' ' ' ARG . 0.1 OUTLIER -117.44 169.73 9.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.159 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.419 ' N ' ' OG1' ' A' ' 57' ' ' THR . 47.8 mmm-85 -66.47 -16.44 64.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -92.46 -3.22 55.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.6 m -83.44 128.24 34.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.839 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 81.1 p -104.38 -34.56 8.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.14 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 44.4 m80 -130.26 152.72 49.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.554 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.528 HD12 ' N ' ' A' ' 64' ' ' ILE . 3.4 tp -121.07 137.46 54.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.528 ' N ' HD12 ' A' ' 63' ' ' LEU . 22.1 mm -104.38 95.78 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.0 t -100.58 131.67 46.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.619 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . . . -68.0 -33.33 74.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.103 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -166.77 160.62 14.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.66 -178.5 2.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.117 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 63.44 42.23 6.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.2 p -122.02 158.72 54.29 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.555 0.693 . . . . 0.0 111.162 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -19.29 36.0 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.689 2.259 . . . . 0.0 112.359 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -95.28 -21.34 18.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -76.12 -42.8 45.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.1 t -79.07 -22.18 45.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -73.36 -49.13 28.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.571 HG13 ' CE2' ' A' ' 56' ' ' TRP . 43.2 t -78.39 -14.85 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.56 ' CA ' HD11 ' A' ' 83' ' ' ILE . 26.4 tp -73.89 -33.38 64.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -81.31 -29.26 41.23 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.47 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 76' ' ' VAL . 41.4 mt -65.73 -47.43 75.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.824 0.345 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 122.41 17.96 3.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -82.89 169.77 48.91 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.529 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.52 ' NE ' HD21 ' A' ' 105' ' ' LEU . 3.3 tpm_? -88.47 99.24 12.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.781 0.324 . . . . 0.0 110.885 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.56 HD11 ' CA ' ' A' ' 77' ' ' LEU . 27.4 mt -87.5 120.05 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.439 HG11 ' HB2' ' A' ' 101' ' ' SER . 7.9 m -136.25 149.75 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.104 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 31.7 mtt-85 -59.2 -176.91 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.561 ' HB2' HD11 ' A' ' 41' ' ' LEU . 14.4 pttp -89.06 -9.06 52.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 88' ' ' TRP . 55.7 mm-40 -68.24 -42.83 79.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.424 ' C ' ' O ' ' A' ' 87' ' ' GLU . 34.6 t90 -36.25 -71.24 0.07 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.753 HG13 ' H ' ' A' ' 90' ' ' LEU . 1.3 p -47.51 -65.81 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.753 ' H ' HG13 ' A' ' 89' ' ' VAL . 90.5 mt -35.1 -59.4 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -52.99 -43.33 66.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 89' ' ' VAL . 71.9 m -58.57 -42.72 88.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -71.46 -38.04 71.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.546 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -59.48 -52.7 64.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 21.7 mtm -89.85 -4.09 57.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 46.77 44.61 14.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -147.19 156.47 42.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -69.51 113.16 6.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 65.1 mt -105.05 150.21 38.49 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.59 0.71 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 121.05 7.73 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.659 2.239 . . . . 0.0 112.331 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.439 ' HB2' HG11 ' A' ' 84' ' ' VAL . 92.2 p -80.16 -12.21 59.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -63.75 -28.18 69.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 66.2 mtt85 -82.26 -18.11 43.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -99.88 3.4 44.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.93 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.52 HD21 ' NE ' ' A' ' 82' ' ' ARG . 13.7 mt -50.26 131.09 23.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.5 mmt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.799 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.89 0.376 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.704 HD22 ' HB3' ' A' ' 47' ' ' GLU . 7.1 mp -81.89 -30.98 31.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.04 -7.75 14.15 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm -103.37 5.24 37.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.789 0.328 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.1 mt -90.79 -58.46 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 28.5 mt -107.95 43.55 1.2 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.7 tp60 -70.34 113.26 7.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.08 26.11 13.12 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.0 t -117.47 147.69 20.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.914 0.388 . . . . 0.0 111.112 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.647 HG11 ' OD1' ' A' ' 59' ' ' ASP . 90.9 t -124.54 108.34 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.4 m -103.23 153.3 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.4 t -130.44 127.67 62.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.645 HD22 HD23 ' A' ' 41' ' ' LEU . 57.3 mt -82.13 126.48 32.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.959 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.6 p -151.42 124.64 8.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.12 28.26 18.37 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.493 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -121.66 161.74 21.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.766 0.317 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -135.72 121.28 19.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.522 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 1.3 p-10 -50.62 154.16 2.44 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.573 0.702 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.4 Cg_endo -69.85 -15.01 12.69 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.355 -0.02 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 36' ' ' PRO . 3.5 t80 -36.08 -63.37 0.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.45 ' CG ' ' N ' ' A' ' 39' ' ' SER . 16.8 ptt180 -45.0 -45.26 10.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.45 ' N ' ' CG ' ' A' ' 38' ' ' ARG . 1.8 t -61.3 -57.52 12.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -52.24 -55.68 19.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.645 HD23 HD22 ' A' ' 30' ' ' LEU . 37.8 tp -50.11 -37.11 32.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.439 ' HB2' HD11 ' A' ' 30' ' ' LEU . 21.3 ttm180 -68.61 -49.58 58.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -46.69 -48.02 20.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -67.18 -43.23 82.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.11 -32.04 53.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 26.4 mt -76.28 -45.99 29.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.704 ' HB3' HD22 ' A' ' 19' ' ' LEU . 1.4 mp0 -48.64 -40.56 28.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.0 mt -67.78 -24.52 65.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.99 15.02 17.43 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.53 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.24 151.57 20.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 111.106 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.3 mttp -89.84 142.61 27.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.926 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -110.3 119.92 40.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.606 ' HD3' HG21 ' A' ' 57' ' ' THR . 4.1 mmp_? -117.94 144.05 33.86 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.624 0.726 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -25.82 28.21 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.658 2.239 . . . . 0.0 112.337 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.407 ' CG ' ' N ' ' A' ' 56' ' ' TRP . 3.2 t70 -144.79 163.04 35.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.856 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.546 ' CZ3' ' HB3' ' A' ' 60' ' ' SER . 69.0 t-105 -54.54 109.96 0.57 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.606 HG21 ' HD3' ' A' ' 53' ' ' ARG . 69.2 p -97.67 160.58 14.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.143 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.7 tpt85 -65.62 -18.89 65.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.647 ' OD1' HG11 ' A' ' 27' ' ' VAL . 2.0 p30 -93.84 -2.05 54.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.546 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 67.1 m -60.96 122.15 14.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.458 ' HB ' ' CE1' ' A' ' 62' ' ' HIS . 33.2 p -104.45 -31.4 9.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.458 ' CE1' ' HB ' ' A' ' 61' ' ' THR . 3.7 m80 -144.14 136.05 26.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.591 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.63 HD22 HG21 ' A' ' 76' ' ' VAL . 11.5 tp -104.4 130.45 52.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.949 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.6 mm -96.77 91.38 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 22.7 t -90.26 158.98 16.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.95 -38.07 8.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.13 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -157.38 145.51 19.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.64 -179.47 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 63.54 35.17 12.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.37 158.98 34.66 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.597 0.713 . . . . 0.0 111.147 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -31.21 20.96 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.663 2.242 . . . . 0.0 112.331 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -82.86 -26.24 31.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.582 ' CD1' HG21 ' A' ' 83' ' ' ILE . 75.4 t80 -63.19 -58.58 6.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 27.5 t -59.66 -34.54 72.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.835 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -56.91 -52.24 65.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.63 HG21 HD22 ' A' ' 63' ' ' LEU . 40.2 t -77.19 -14.98 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.176 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.523 HD12 ' CE2' ' A' ' 73' ' ' TYR . 1.5 tt -70.99 -52.49 19.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.939 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.38 -37.89 80.1 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.516 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 32.1 mt -56.4 -51.07 69.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 0.0 110.936 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 129.37 12.25 2.58 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.498 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -74.95 160.97 53.14 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -89.18 99.07 12.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.739 0.304 . . . . 0.0 110.9 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.582 HG21 ' CD1' ' A' ' 73' ' ' TYR . 11.1 mt -87.0 123.67 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.4 m -139.42 172.01 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.446 ' CZ ' ' HB3' ' A' ' 85' ' ' ARG . 2.7 mmm180 -75.15 175.74 7.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -84.27 -32.03 24.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -44.55 -30.7 0.94 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.445 ' CE2' ' OG ' ' A' ' 101' ' ' SER . 24.0 t90 -49.08 -58.65 4.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 42.7 t -62.05 -57.68 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 33.1 mt -45.21 -69.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -50.19 -43.72 52.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 2.3 m -55.06 -44.43 74.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 96' ' ' ARG . 47.6 t-80 -74.45 -62.11 1.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.602 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -40.62 -35.39 0.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 7.4 mtm -101.93 -15.74 16.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 93' ' ' HIS . 13.0 mtm-85 55.64 44.28 26.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -139.72 170.05 16.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 25.9 ttt-85 -94.31 103.52 15.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 43.9 mt -90.69 148.26 38.11 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.605 0.717 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 104.78 1.37 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.693 2.262 . . . . 0.0 112.343 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.445 ' OG ' ' CE2' ' A' ' 88' ' ' TRP . 60.0 m -64.16 -15.41 59.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -66.51 -11.48 52.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -94.86 -15.11 23.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -107.0 0.8 23.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 23.2 mt -49.21 114.84 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 28.5 mtp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.83 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.853 0.359 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.526 HD13 ' CD1' ' A' ' 22' ' ' ILE . 4.6 mm? -59.7 -46.94 87.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.55 -14.92 51.92 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.506 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -92.83 8.97 37.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.756 0.312 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.526 ' CD1' HD13 ' A' ' 19' ' ' LEU . 46.8 mt -91.59 -56.91 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.0 mt -108.07 34.37 3.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -60.4 110.86 1.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.941 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.48 23.9 15.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.511 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 27' ' ' VAL . 57.7 t -119.49 152.85 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.37 . . . . 0.0 111.133 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.483 HG22 ' HE2' ' A' ' 51' ' ' LYS . 14.3 t -130.97 127.3 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.1 m -118.91 165.23 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 75.2 t -138.51 136.74 43.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.537 HD11 ' HB2' ' A' ' 42' ' ' ARG . 95.0 mt -88.98 117.41 27.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.3 t -131.2 108.41 9.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.82 49.75 3.5 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.493 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.653 ' CZ ' ' CD2' ' A' ' 41' ' ' LEU . 58.8 m-85 -129.17 156.55 43.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.77 0.319 . . . . 0.0 110.892 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -142.37 134.69 27.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.537 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 1.2 p30 -62.08 154.18 70.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.621 0.724 . . . . 0.0 110.855 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 54.3 Cg_endo -69.75 -29.42 5.71 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.733 -1.778 . . . . 0.0 112.346 -0.096 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.44 ' C ' ' O ' ' A' ' 36' ' ' PRO . 9.2 t80 -35.27 -58.41 0.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.5 ttt85 -42.45 -49.51 5.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.6 t -67.26 -60.48 2.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.819 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -43.44 -39.68 3.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.653 ' CD2' ' CZ ' ' A' ' 33' ' ' PHE . 33.8 tp -67.62 -53.24 29.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.537 ' HB2' HD11 ' A' ' 30' ' ' LEU . 24.6 ttt-85 -49.3 -48.64 46.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -49.33 -62.59 1.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.824 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -44.87 -48.77 11.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.408 ' HA ' HD12 ' A' ' 48' ' ' LEU . . . -54.93 -44.52 74.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.122 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 31.9 mt -64.79 -43.65 92.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.46 -44.94 73.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 45' ' ' ALA . 14.4 mt -60.39 -23.37 64.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.94 19.01 9.92 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.28 153.02 18.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.896 0.379 . . . . 0.0 111.101 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.483 ' HE2' HG22 ' A' ' 27' ' ' VAL . 3.1 mppt? -93.17 139.12 30.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -103.49 112.37 25.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.83 ' NH1' HG21 ' A' ' 57' ' ' THR . 18.2 mmt85 -104.3 145.21 30.23 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.597 0.713 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -33.13 17.16 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.351 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -137.44 163.57 30.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.687 ' CE2' HG13 ' A' ' 76' ' ' VAL . 76.1 t-105 -64.99 79.48 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.83 HG21 ' NH1' ' A' ' 53' ' ' ARG . 3.9 t -83.34 158.76 22.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.112 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -54.31 -22.23 11.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -79.41 -23.38 43.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 m -71.14 127.36 32.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 82.8 p -103.45 -47.18 4.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.148 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -109.82 149.98 29.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.588 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.566 ' HB2' ' CZ3' ' A' ' 56' ' ' TRP . 13.9 tp -120.17 116.15 25.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.7 mm -84.38 96.72 4.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 23.8 t -99.16 111.62 23.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.03 -42.25 60.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.088 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -157.61 147.39 20.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.28 -178.6 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.0 m120 69.01 32.68 3.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.7 p -112.14 156.28 42.18 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.594 0.711 . . . . 0.0 111.168 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -17.56 37.87 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.712 2.274 . . . . 0.0 112.377 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.2 mmtm -95.12 -23.25 17.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -72.78 -41.04 65.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.7 t -79.91 -18.35 50.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -79.4 -51.67 9.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.687 HG13 ' CE2' ' A' ' 56' ' ' TRP . 39.3 t -72.48 -14.96 17.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 33.6 tp -71.43 -43.57 66.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -74.32 -36.15 50.89 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.498 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 76' ' ' VAL . 17.9 mt -60.62 -41.5 94.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.812 0.339 . . . . 0.0 110.924 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 116.93 35.49 1.13 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -97.77 160.71 21.02 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.451 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.48 ' NE ' ' HA ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -84.71 99.06 10.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.778 0.323 . . . . 0.0 110.877 -179.864 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.634 HG22 ' SD ' ' A' ' 106' ' ' MET . 47.2 mt -89.36 110.7 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.155 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.434 HG12 ' O ' ' A' ' 104' ' ' TYR . 8.1 m -127.67 152.48 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.472 ' HG3' ' CG ' ' A' ' 106' ' ' MET . 18.1 mtt-85 -73.44 150.73 41.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.3 pttm -50.67 -26.61 5.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -46.52 -44.56 17.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 32.6 t90 -46.9 -47.4 21.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 86.3 t -69.22 -58.9 4.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.7 mt -44.0 -47.28 8.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -67.13 -51.57 52.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 44.8 m -47.07 -51.67 17.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -66.67 -52.14 48.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.571 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.472 ' CZ ' ' CG ' ' A' ' 95' ' ' MET . 3.9 tmm_? -42.91 -57.92 2.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.472 ' CG ' ' CZ ' ' A' ' 94' ' ' ARG . 8.2 mtm -83.23 -11.59 57.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 27.7 mtm-85 55.6 44.59 26.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -149.84 155.67 40.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -69.45 123.49 21.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 62.3 mt -112.99 150.24 42.57 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.641 0.734 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 111.7 2.88 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.635 2.223 . . . . 0.0 112.397 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 80.4 p -61.81 -28.72 69.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -50.35 -34.1 22.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 -76.41 -24.87 54.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.434 ' O ' HG12 ' A' ' 84' ' ' VAL . 33.8 m-85 -107.5 32.73 4.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.8 mt -82.01 126.97 32.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.634 ' SD ' HG22 ' A' ' 83' ' ' ILE . 19.2 mtp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.923 0.392 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.67 HD13 HD12 ' A' ' 22' ' ' ILE . 4.4 mm? -84.17 -41.85 16.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.82 -19.01 34.71 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.513 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -89.66 4.77 48.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.748 0.309 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.67 HD12 HD13 ' A' ' 19' ' ' LEU . 54.2 mt -93.39 -58.09 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.142 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.2 mt -110.88 41.94 1.71 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.954 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -68.08 105.02 1.92 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.956 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.6 29.89 5.15 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 99.8 t -125.48 147.85 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.891 0.377 . . . . 0.0 111.116 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.899 HG22 ' HB3' ' A' ' 51' ' ' LYS . 96.6 t -128.61 115.09 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.478 ' CG1' HD11 ' A' ' 64' ' ' ILE . 16.5 m -103.59 163.99 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.7 t -139.54 131.47 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.646 HD22 HD23 ' A' ' 41' ' ' LEU . 66.5 mt -87.33 117.37 26.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.1 t -143.06 112.38 6.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.85 34.86 6.05 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.424 ' CE1' ' HB2' ' A' ' 66' ' ' ALA . 28.8 m-85 -126.53 153.52 45.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.341 . . . . 0.0 110.863 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -119.02 151.52 38.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.493 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.4 OUTLIER -88.75 162.85 37.45 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.595 0.712 . . . . 0.0 110.903 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.513 ' O ' ' C ' ' A' ' 37' ' ' PHE . 53.4 Cg_endo -69.76 -26.62 7.29 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.307 -0.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.513 ' C ' ' O ' ' A' ' 36' ' ' PRO . 7.5 t80 -29.17 -50.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 -49.15 -59.46 3.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.7 p -55.47 -37.6 67.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -61.98 -43.05 99.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.895 HD11 HG11 ' A' ' 89' ' ' VAL . 15.7 tp -60.86 -51.16 70.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -47.08 -51.74 16.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -49.36 -54.21 18.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 54.4 mttt -56.13 -42.75 77.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.496 ' HB2' HG21 ' A' ' 89' ' ' VAL . . . -65.41 -35.83 82.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 87.9 mt -66.18 -45.83 79.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.448 ' C ' ' HB3' ' A' ' 19' ' ' LEU . 3.4 mm-40 -49.59 -54.18 19.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.931 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 45' ' ' ALA . 5.7 mt -53.19 -15.26 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 97.27 12.88 47.28 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.495 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.76 157.14 24.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 111.107 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.899 ' HB3' HG22 ' A' ' 27' ' ' VAL . 13.8 tppt? -91.1 155.3 18.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.452 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 6.6 t80 -122.36 117.07 25.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -120.03 143.29 35.08 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.644 0.735 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -23.2 31.2 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.742 2.294 . . . . 0.0 112.35 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -150.35 158.29 43.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.639 ' CE2' HG13 ' A' ' 76' ' ' VAL . 67.5 t-105 -60.65 120.49 10.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.434 HG23 ' H ' ' A' ' 59' ' ' ASP . 5.0 t -125.68 179.63 5.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.422 ' N ' ' OG1' ' A' ' 57' ' ' THR . 37.5 ttt85 -65.81 -15.48 62.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.434 ' H ' HG23 ' A' ' 57' ' ' THR . 9.5 t0 -91.56 -16.73 26.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.548 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 3.4 m -71.03 120.51 16.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 80.7 p -101.62 -39.08 7.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 28.3 m80 -129.81 140.92 50.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.613 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.766 HD22 HG21 ' A' ' 76' ' ' VAL . 10.6 tp -107.79 120.91 43.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.515 HG21 HD21 ' A' ' 41' ' ' LEU . 9.3 mm -81.29 90.37 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 43.3 t -94.81 161.18 14.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.424 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . . . -101.05 -38.03 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -160.67 153.9 21.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.86 -177.42 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.074 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 59.79 41.84 17.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.1 p -118.26 158.64 46.04 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.586 0.708 . . . . 0.0 111.124 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -29.66 23.55 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.658 2.239 . . . . 0.0 112.34 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.424 ' O ' HG23 ' A' ' 76' ' ' VAL . 24.8 tptt -86.02 -28.21 24.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.719 ' CD2' HG21 ' A' ' 83' ' ' ILE . 16.3 t80 -61.4 -58.87 6.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.3 t -56.96 -50.04 73.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -47.89 -64.5 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.766 HG21 HD22 ' A' ' 63' ' ' LEU . 40.1 t -59.63 -14.92 7.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.619 HD12 ' CE1' ' A' ' 73' ' ' TYR . 3.7 tt -76.51 -56.82 4.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.34 -35.32 90.06 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.523 HD13 ' CD1' ' A' ' 56' ' ' TRP . 25.9 mt -55.93 -39.21 71.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.822 0.344 . . . . 0.0 110.897 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 115.94 36.21 1.17 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.86 172.37 15.79 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.464 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 13.7 ttm-85 -98.06 101.23 12.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 0.0 110.884 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.719 HG21 ' CD2' ' A' ' 73' ' ' TYR . 21.6 mt -82.61 114.21 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.846 HG12 ' HA ' ' A' ' 105' ' ' LEU . 12.5 m -125.19 168.09 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.447 ' HD2' ' CG ' ' A' ' 106' ' ' MET . 0.4 OUTLIER -81.8 175.63 10.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.435 ' HD2' HD11 ' A' ' 90' ' ' LEU . 16.9 pttp -80.5 -12.45 59.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -70.25 -34.3 72.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 46.0 t90 -49.55 -70.93 0.07 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.895 HG11 HD11 ' A' ' 41' ' ' LEU . 9.3 p -58.11 -50.46 78.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.157 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.63 ' N ' HG13 ' A' ' 89' ' ' VAL . 56.6 mt -47.7 -42.73 25.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -73.83 -56.71 4.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.835 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 13.8 m -38.29 -41.27 0.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -73.52 -57.02 4.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.621 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -42.45 -53.26 4.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 6.7 mtt -83.66 -19.58 35.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 33.1 mtm180 61.54 42.35 11.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 97' ' ' ARG . 3.0 ptp180 -142.13 165.11 28.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -85.12 120.33 26.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 46.3 mt -112.18 152.35 44.34 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.632 0.73 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 99.23 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.705 2.27 . . . . 0.0 112.337 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 105' ' ' LEU . 20.2 p -49.94 -29.63 8.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.778 ' HA ' HD23 ' A' ' 105' ' ' LEU . 15.1 tm0? -52.91 -43.06 65.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 40.0 mtp180 -72.81 -7.53 51.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -120.78 -4.9 9.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.846 ' HA ' HG12 ' A' ' 84' ' ' VAL . 0.3 OUTLIER -89.11 126.47 35.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.447 ' CG ' ' HD2' ' A' ' 85' ' ' ARG . 23.3 mtm . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.856 0.36 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.775 HD12 HD23 ' A' ' 48' ' ' LEU . 4.4 mm? -75.89 -43.21 46.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.65 -20.8 53.29 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -84.17 0.85 47.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.776 0.322 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.544 HD12 HD13 ' A' ' 19' ' ' LEU . 59.1 mt -88.56 -57.31 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.7 mt -111.28 42.92 1.57 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.6 tp60 -63.76 118.15 7.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.62 34.44 16.15 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.532 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.6 t -123.65 147.33 28.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.348 . . . . 0.0 111.14 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.0 t -124.62 118.79 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.589 HG21 ' HB1' ' A' ' 45' ' ' ALA . 4.3 m -108.61 139.63 30.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.5 t -116.14 123.27 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.107 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.488 HD22 HD23 ' A' ' 41' ' ' LEU . 84.4 mt -83.33 129.6 35.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.2 m -153.7 105.7 2.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.48 33.24 3.42 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.539 ' CZ ' ' CD2' ' A' ' 41' ' ' LEU . 72.4 m-85 -123.0 154.76 38.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.796 0.331 . . . . 0.0 110.851 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -136.77 121.01 17.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.949 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.539 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 1.4 p-10 -50.75 154.23 2.49 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.659 0.743 . . . . 0.0 110.847 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.9 Cg_endo -69.75 -25.35 8.07 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.328 -0.095 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' PRO . 20.7 t80 -37.97 -53.44 1.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.3 ttt85 -50.05 -61.38 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.9 p -54.35 -56.7 15.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -46.99 -38.55 10.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.539 ' CD2' ' CZ ' ' A' ' 33' ' ' PHE . 34.4 tp -66.59 -44.98 80.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -53.07 -60.9 2.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.598 ' HA ' HD12 ' A' ' 46' ' ' LEU . 2.7 t70 -40.89 -58.0 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -50.19 -46.6 54.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.589 ' HB1' HG21 ' A' ' 28' ' ' VAL . . . -60.14 -33.35 72.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.121 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.598 HD12 ' HA ' ' A' ' 43' ' ' ASP . 45.4 mt -68.84 -45.15 71.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.422 ' C ' ' HB3' ' A' ' 19' ' ' LEU . 6.1 mm-40 -50.66 -53.8 28.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.775 HD23 HD12 ' A' ' 19' ' ' LEU . 28.9 mt -53.64 -18.49 3.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.65 19.35 22.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.507 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.5 143.17 27.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.87 0.367 . . . . 0.0 111.123 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.87 133.24 33.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.403 ' CE1' HD12 ' A' ' 30' ' ' LEU . 3.7 t80 -99.51 115.75 30.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -108.44 143.97 28.56 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.621 0.724 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -22.43 31.97 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.694 2.263 . . . . 0.0 112.332 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -153.47 158.81 41.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.503 ' CZ2' HG13 ' A' ' 76' ' ' VAL . 64.2 t-105 -60.32 131.47 50.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.6 t -137.08 172.69 12.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 -65.24 -11.03 36.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -96.06 -14.22 23.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.2 m -72.78 131.58 42.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 38.1 p -107.29 -45.85 4.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.18 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.417 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 38.7 m80 -120.89 165.22 15.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.608 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.606 HD23 HG23 ' A' ' 83' ' ' ILE . 7.2 tp -131.23 129.62 41.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.96 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 22.1 mm -96.55 90.87 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 34.2 t -93.28 140.87 29.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.83 -35.35 32.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -162.0 155.06 20.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.36 -179.34 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 65.15 33.91 9.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.94 158.51 33.35 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.624 0.726 . . . . 0.0 111.129 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -24.59 29.59 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.662 2.241 . . . . 0.0 112.35 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -90.06 -21.94 22.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -67.81 -39.22 83.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.5 m -82.96 -11.82 57.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 16.5 tp60 -85.16 -50.1 7.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.503 HG13 ' CZ2' ' A' ' 56' ' ' TRP . 40.1 t -75.6 -14.96 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.524 ' CA ' HD11 ' A' ' 83' ' ' ILE . 50.5 tp -72.82 -49.93 27.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.9 -41.05 95.65 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.409 HD13 ' CD1' ' A' ' 56' ' ' TRP . 23.0 mt -55.65 -47.62 76.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.825 0.345 . . . . 0.0 110.914 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 120.74 24.48 2.56 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.457 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -88.96 159.11 28.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.459 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.793 ' HD2' HD21 ' A' ' 105' ' ' LEU . 21.2 tpp180 -79.52 100.07 7.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.788 0.327 . . . . 0.0 110.889 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.606 HG23 HD23 ' A' ' 63' ' ' LEU . 23.0 mt -88.34 114.21 26.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.116 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 11.7 m -130.25 162.76 37.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.112 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -76.99 -176.57 4.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -83.01 -35.59 25.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -43.48 -24.39 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.449 ' CE2' ' HB3' ' A' ' 101' ' ' SER . 23.5 t90 -60.82 -53.22 60.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 82.1 t -66.17 -54.46 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.157 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 48.2 mt -47.49 -55.85 8.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -58.39 -45.7 87.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.483 ' O ' ' N ' ' A' ' 96' ' ' ARG . 9.6 m -54.95 -60.15 3.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -56.49 -53.68 54.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.614 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -44.53 -59.09 2.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.402 ' CB ' ' HG2' ' A' ' 97' ' ' ARG . 26.4 mtm -83.44 -1.7 54.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 92' ' ' CYS . 90.6 mtt180 44.62 44.81 7.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.402 ' HG2' ' CB ' ' A' ' 95' ' ' MET . 13.8 ptp180 -141.53 157.52 45.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 43.3 ttt85 -79.78 107.27 12.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 50.5 mt -97.1 151.57 37.79 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.654 0.74 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 107.99 1.98 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.681 2.254 . . . . 0.0 112.342 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.449 ' HB3' ' CE2' ' A' ' 88' ' ' TRP . 70.4 p -67.98 -10.49 53.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -69.94 -28.14 65.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -81.08 -2.82 49.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -119.76 21.04 12.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.793 HD21 ' HD2' ' A' ' 82' ' ' ARG . 24.6 mt -71.27 132.74 45.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.949 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.3 mtt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.831 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.916 0.389 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.472 HD13 ' CD1' ' A' ' 22' ' ' ILE . 4.6 mm? -74.54 -44.75 49.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.16 -18.51 35.06 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.451 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -86.54 1.37 51.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.724 0.297 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.472 ' CD1' HD13 ' A' ' 19' ' ' LEU . 59.2 mt -90.31 -58.37 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.415 ' CD1' HD13 ' A' ' 48' ' ' LEU . 16.7 mt -106.28 39.72 1.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.6 tp60 -64.59 110.52 2.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.81 31.08 7.96 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.52 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.406 HG21 HD22 ' A' ' 23' ' ' LEU . 85.8 t -121.89 145.64 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.874 0.369 . . . . 0.0 111.084 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.2 t -126.57 114.42 37.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.4 m -109.03 153.69 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.434 HG22 ' HB2' ' A' ' 53' ' ' ARG . 55.2 t -128.32 132.22 68.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.109 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 58.8 mt -83.41 126.15 32.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.6 p -146.8 110.16 4.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.56 42.15 5.22 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.433 ' CZ ' HG22 ' A' ' 64' ' ' ILE . 63.2 m-85 -129.31 156.94 43.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.877 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -142.88 134.07 25.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.531 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -57.44 153.97 25.73 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.636 0.731 . . . . 0.0 110.859 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.8 Cg_endo -69.76 -30.99 4.83 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.33 -0.053 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.449 ' C ' ' O ' ' A' ' 36' ' ' PRO . 15.3 t80 -34.5 -59.34 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -47.12 -48.76 22.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.0 m -63.85 -58.4 6.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -46.75 -56.64 5.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.92 HD11 HG11 ' A' ' 89' ' ' VAL . 20.0 tp -44.7 -55.74 5.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.56 ' HD3' ' CD2' ' A' ' 52' ' ' TYR . 13.9 ttm105 -51.5 -50.79 59.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.8 -52.04 35.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.46 ' HG2' ' ND1' ' A' ' 93' ' ' HIS . 62.6 mttt -60.86 -43.71 98.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.51 -39.91 85.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 68.2 mt -61.77 -48.51 80.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.443 ' C ' ' HB3' ' A' ' 19' ' ' LEU . 4.0 mm-40 -48.18 -52.28 21.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.456 HD23 HD12 ' A' ' 22' ' ' ILE . 35.2 mt -50.48 -24.29 3.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.34 20.78 10.6 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.549 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.41 153.07 18.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.348 . . . . 0.0 111.134 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.415 ' HD3' ' N ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -91.6 141.74 28.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.56 ' CD2' ' HD3' ' A' ' 42' ' ' ARG . 3.4 t80 -106.98 125.47 51.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.955 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.529 ' HD2' HG21 ' A' ' 57' ' ' THR . 30.8 mmt180 -121.64 144.25 40.08 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.622 0.725 . . . . 0.0 110.829 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -37.83 8.58 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.675 2.25 . . . . 0.0 112.336 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -134.81 156.45 48.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.818 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.554 ' CZ3' ' HB3' ' A' ' 60' ' ' SER . 29.1 t-105 -46.84 125.88 7.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.529 HG21 ' HD2' ' A' ' 53' ' ' ARG . 25.2 p -117.8 166.99 11.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.144 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -70.1 -12.41 61.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.58 -2.14 31.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.554 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 2.3 m -66.92 118.43 10.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 71.3 p -97.97 -45.92 6.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -124.74 144.16 50.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.552 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.586 HD22 HG21 ' A' ' 76' ' ' VAL . 20.9 tp -112.16 116.84 31.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.433 HG22 ' CZ ' ' A' ' 33' ' ' PHE . 25.6 mm -83.87 92.53 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.17 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 47.8 t -96.98 133.71 41.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.18 -40.54 74.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -157.72 149.34 21.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.93 -179.18 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 64.3 45.92 3.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -121.65 158.85 53.0 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.539 0.685 . . . . 0.0 111.171 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -20.01 35.3 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.645 2.23 . . . . 0.0 112.346 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.419 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.2 tppp? -91.95 -33.68 14.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 73' ' ' TYR . 0.4 OUTLIER -62.84 -40.06 96.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.1 t -74.62 -35.02 62.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.817 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -65.94 -45.01 83.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.586 HG21 HD22 ' A' ' 63' ' ' LEU . 39.6 t -78.46 -15.04 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.576 ' CA ' HD11 ' A' ' 83' ' ' ILE . 49.6 tp -74.93 -40.49 60.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -75.09 -40.39 34.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.0 mt -55.9 -52.72 63.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 128.42 27.39 0.9 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.485 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -90.64 160.08 27.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.493 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.476 ' CZ ' ' HA ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -80.6 98.63 7.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.763 0.316 . . . . 0.0 110.82 -179.839 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.576 HD11 ' CA ' ' A' ' 77' ' ' LEU . 43.1 mt -85.46 108.96 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.084 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.793 HG11 ' OG ' ' A' ' 101' ' ' SER . 16.0 m -125.55 159.82 32.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 -73.36 -176.24 2.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.413 ' HA ' HG23 ' A' ' 64' ' ' ILE . 19.9 pttm -85.11 -33.55 22.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -47.05 -30.71 2.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 42.4 t90 -53.17 -69.1 0.12 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.95 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.92 HG11 HD11 ' A' ' 41' ' ' LEU . 9.0 p -61.92 -51.41 72.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.101 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.638 ' N ' HG13 ' A' ' 89' ' ' VAL . 57.7 mt -44.95 -49.76 10.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -71.92 -49.2 39.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.814 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 19.5 m -41.97 -44.49 3.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.46 ' ND1' ' HG2' ' A' ' 44' ' ' LYS . 48.5 t-80 -69.25 -60.99 1.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.602 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.2 tpm_? -39.95 -60.52 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 7.0 mtm -74.13 -13.8 60.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 93' ' ' HIS . 59.3 mtt85 55.28 42.27 30.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -141.94 165.77 26.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 58.5 ttt-85 -90.22 111.65 22.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 64.9 mt -97.32 147.94 33.7 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.65 0.738 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 117.71 5.24 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.717 2.278 . . . . 0.0 112.361 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.793 ' OG ' HG11 ' A' ' 84' ' ' VAL . 5.1 t -63.61 -28.89 70.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -52.07 -26.66 11.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 19.2 mtt-85 -81.57 -27.26 34.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -106.81 34.75 3.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.2 mt -81.13 116.47 21.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.9 mtp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.889 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.4 t -146.39 132.2 19.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 110.88 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.9 p -87.75 147.19 25.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.73 107.08 3.13 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -146.59 113.45 6.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.882 0.372 . . . . 0.0 110.86 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.0 t -155.6 145.16 21.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.817 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.65 104.61 0.2 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.48 ' CG ' ' HD2' ' A' ' 9' ' ' PRO . 10.3 tt0 -167.47 140.53 2.81 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.652 0.739 . . . . 0.0 110.88 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.48 ' HD2' ' CG ' ' A' ' 8' ' ' GLU . 53.5 Cg_endo -69.75 120.68 7.43 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.638 2.225 . . . . 0.0 112.351 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -102.52 164.22 11.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.25 157.13 24.75 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.619 0.723 . . . . 0.0 110.85 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -32.6 18.37 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.702 2.268 . . . . 0.0 112.349 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -45.88 164.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.65 86.8 2.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.38 -158.7 0.44 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 0.58 5.42 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.712 2.274 . . . . 0.0 112.33 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -69.57 -45.9 67.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -68.96 -42.14 77.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.54 HD22 ' HB3' ' A' ' 47' ' ' GLU . 4.9 mp -67.56 -40.12 84.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.83 -18.14 38.26 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.437 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.2 mmtt -90.17 0.03 57.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.777 0.323 . . . . 0.0 110.944 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.8 mt -83.84 -56.23 5.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 28.3 mt -105.31 33.37 3.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -61.81 108.56 1.03 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.52 21.68 12.47 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.46 HG12 ' N ' ' A' ' 27' ' ' VAL . 78.9 t -118.68 155.51 20.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.868 0.366 . . . . 0.0 111.091 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.572 HG13 ' HB2' ' A' ' 51' ' ' LYS . 7.2 t -131.77 114.71 25.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.639 HG21 ' HB1' ' A' ' 45' ' ' ALA . 4.3 m -104.37 142.14 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.4 t -118.69 126.93 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.556 HD12 ' CE1' ' A' ' 52' ' ' TYR . 68.5 mt -83.3 127.45 33.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.0 m -141.08 124.17 16.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.26 46.32 34.96 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -128.33 140.0 52.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.89 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -130.21 132.14 45.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.508 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -57.48 160.67 6.92 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.589 0.709 . . . . 0.0 110.912 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.8 Cg_endo -69.75 -17.24 12.02 Favored 'Cis proline' 0 C--O 1.231 0.169 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.35 -0.059 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -50.23 -50.7 48.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -51.15 -43.97 61.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.7 m -67.64 -51.39 50.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -54.12 -49.75 68.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.482 HD23 HD22 ' A' ' 30' ' ' LEU . 34.0 tp -55.86 -51.57 67.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -50.84 -61.63 2.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -41.19 -61.49 1.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -45.27 -48.55 12.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.639 ' HB1' HG21 ' A' ' 28' ' ' VAL . . . -56.8 -37.85 71.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 68.2 mt -66.47 -43.94 84.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.54 ' HB3' HD22 ' A' ' 19' ' ' LEU . 3.4 mp0 -52.53 -52.57 54.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.9 mt -53.88 -19.34 4.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.48 22.45 19.01 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.501 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.5 150.66 20.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.887 0.375 . . . . 0.0 111.087 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.572 ' HB2' HG13 ' A' ' 27' ' ' VAL . 33.0 mtmt -85.39 132.83 34.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.556 ' CE1' HD12 ' A' ' 30' ' ' LEU . 3.6 t80 -106.11 112.32 25.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 -106.65 143.88 27.91 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.599 0.714 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -9.74 26.85 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.4 ' CG ' ' N ' ' A' ' 56' ' ' TRP . 2.0 t70 -163.62 163.84 24.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.621 ' CZ2' HG13 ' A' ' 76' ' ' VAL . 64.9 t-105 -56.44 121.4 9.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.7 p -114.73 162.14 17.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.192 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -65.25 -15.8 62.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.827 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -97.88 -3.73 38.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.5 m -65.92 127.3 31.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 48.8 p -103.96 -35.2 8.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 59.5 m80 -134.12 149.64 51.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.6 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.58 HD22 HG21 ' A' ' 76' ' ' VAL . 18.9 tp -118.52 127.55 53.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 25.9 mm -94.5 105.4 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 42.4 t -104.76 145.04 30.91 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.34 -26.51 19.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.089 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -168.59 147.45 4.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.44 -177.04 0.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 43.6 m-20 62.83 34.36 14.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -110.84 159.66 31.64 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.591 0.71 . . . . 0.0 111.128 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -39.72 6.17 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.715 2.277 . . . . 0.0 112.322 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -76.2 -10.66 59.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.448 ' CZ ' HD12 ' A' ' 77' ' ' LEU . 19.1 t80 -75.53 -57.51 3.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.0 t -63.81 -36.27 83.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.849 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -54.4 -60.01 3.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.621 HG13 ' CZ2' ' A' ' 56' ' ' TRP . 39.6 t -69.58 -14.99 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.121 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.448 HD12 ' CZ ' ' A' ' 73' ' ' TYR . 6.3 tt -71.8 -50.65 27.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.83 -32.95 78.71 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.674 -0.775 . . . . 0.0 112.506 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.569 HD12 ' HA ' ' A' ' 76' ' ' VAL . 39.7 mt -61.36 -47.88 83.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.832 0.349 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 123.42 14.16 4.07 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -78.84 155.82 41.45 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.492 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -79.53 100.55 7.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.789 0.328 . . . . 0.0 110.898 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 44.9 mt -88.59 114.91 27.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.437 HG11 ' HB3' ' A' ' 101' ' ' SER . 12.2 m -127.41 174.04 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.142 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -91.47 170.42 9.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 43.7 pttt -71.07 -33.25 70.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -43.42 -27.03 0.23 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 28.3 t90 -64.62 -46.75 81.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.951 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.0 t -72.03 -46.98 57.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.093 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 62.0 mt -54.77 -47.87 73.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.445 ' HB3' ' CD1' ' A' ' 99' ' ' LEU . 1.2 m-20 -68.27 -38.17 81.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 96' ' ' ARG . 6.1 m -60.83 -49.5 77.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.408 ' CD2' ' CD2' ' A' ' 19' ' ' LEU . 48.8 t-80 -69.44 -53.6 18.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.628 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -49.23 -41.9 38.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 6.0 mtm -98.84 -4.19 33.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 92' ' ' CYS . 28.8 mtm180 43.17 43.9 4.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.489 ' HD2' HD21 ' A' ' 99' ' ' LEU . 5.5 ptp180 -141.62 163.04 34.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 25.9 ttt-85 -82.61 116.07 21.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.489 HD21 ' HD2' ' A' ' 97' ' ' ARG . 45.1 mt -109.5 148.57 38.37 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.582 0.706 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 112.87 3.19 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.246 . . . . 0.0 112.329 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.437 ' HB3' HG11 ' A' ' 84' ' ' VAL . 1.6 m -67.13 -22.64 65.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.833 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.403 ' HG3' ' N ' ' A' ' 103' ' ' ARG . 10.5 pt20 -54.13 -40.52 67.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.403 ' N ' ' HG3' ' A' ' 102' ' ' GLN . 27.0 mtm180 -67.72 -21.69 65.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -108.44 24.93 12.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.962 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 8.6 mt -69.89 124.3 23.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 6.2 mtp -88.36 -46.44 9.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -124.3 176.74 6.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.094 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 83.1 147.5 7.18 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.444 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -20.68 34.54 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.694 2.263 . . . . 0.0 112.327 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 143.74 160.69 8.55 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.496 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 55.1 p -49.27 118.68 2.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.891 0.377 . . . . 0.0 110.891 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 96.0 p -87.89 48.5 1.65 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.6 m 45.96 44.61 11.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -101.84 87.77 3.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -106.56 156.54 18.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -101.0 146.58 27.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -104.14 -43.97 5.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -144.88 114.92 7.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 78.9 p -117.24 162.26 18.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -105.82 157.52 17.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.615 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 38.5 m -143.25 178.48 7.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.898 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 175.21 -165.2 36.1 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.464 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 72.05 70.66 1.17 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.517 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.3 m -81.49 44.11 0.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.93 0.395 . . . . 0.0 110.87 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -162.74 83.44 0.11 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.503 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 2.8 3.21 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.353 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 59.7 p -93.51 83.0 4.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 44.5 m -59.63 87.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.503 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.2 t -159.92 145.98 15.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 110.882 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.7 p -172.43 177.33 3.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.09 153.38 9.78 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.6 p -122.42 121.0 35.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.893 0.378 . . . . 0.0 110.842 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.6 p -123.61 133.63 53.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.66 89.54 0.34 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -117.88 66.18 5.49 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.712 0.768 . . . . 0.0 110.919 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 166.75 26.55 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.704 2.269 . . . . 0.0 112.309 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.4 ' C ' ' HD3' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -67.31 170.09 7.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -113.41 154.14 45.49 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.582 0.706 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -25.67 28.43 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.315 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -106.01 177.79 4.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.8 43.69 0.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.38 146.25 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.491 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -3.77 12.67 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.72 2.28 . . . . 0.0 112.327 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -78.05 -50.69 11.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -46.72 -33.48 4.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.443 HD13 HD12 ' A' ' 22' ' ' ILE . 4.4 mm? -80.21 -46.61 16.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.94 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.57 -9.97 10.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.2 mmtm -96.95 2.11 51.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.753 0.311 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.487 HD12 HD23 ' A' ' 48' ' ' LEU . 47.3 mt -93.29 -58.81 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.9 mt -104.87 41.49 1.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -67.73 107.45 2.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.78 26.65 11.38 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.2 t -120.12 135.54 60.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.916 0.388 . . . . 0.0 111.149 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.0 t -113.3 113.07 42.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.452 HG21 ' HB1' ' A' ' 45' ' ' ALA . 5.2 m -102.69 150.93 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 51.5 t -126.73 125.79 67.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.895 HD22 HD23 ' A' ' 41' ' ' LEU . 92.1 mt -87.44 124.42 33.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.3 t -145.5 145.12 30.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 54.68 53.65 37.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.494 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.741 ' HZ ' HG22 ' A' ' 64' ' ' ILE . 41.6 m-85 -127.4 166.35 18.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.885 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -109.51 179.31 4.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.504 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.6 OUTLIER -133.3 160.72 67.51 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.667 0.746 . . . . 0.0 110.867 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 54.1 Cg_endo -69.77 -2.42 7.15 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.377 -0.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.485 ' N ' ' HA ' ' A' ' 35' ' ' ASN . 23.0 t80 -33.22 -46.47 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -41.91 -56.98 2.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.5 t -53.9 -54.74 34.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.406 ' HG3' ' NZ ' ' A' ' 44' ' ' LYS . 6.4 tp10 -47.5 -48.08 27.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.895 HD23 HD22 ' A' ' 30' ' ' LEU . 30.7 tp -65.47 -40.53 93.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.502 ' HE ' HD11 ' A' ' 46' ' ' LEU . 34.3 ttp180 -60.54 -58.97 6.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.656 ' HA ' HD12 ' A' ' 46' ' ' LEU . 5.1 t0 -41.99 -55.61 3.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.406 ' NZ ' ' HG3' ' A' ' 40' ' ' GLU . 52.6 mttt -52.1 -47.46 65.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.655 ' HA ' HD12 ' A' ' 48' ' ' LEU . . . -62.45 -31.25 71.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.656 HD12 ' HA ' ' A' ' 43' ' ' ASP . 55.2 mt -69.82 -48.72 57.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.422 ' C ' ' HB3' ' A' ' 19' ' ' LEU . 12.5 mm-40 -54.96 -46.02 74.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.655 HD12 ' HA ' ' A' ' 45' ' ' ALA . 8.3 mt -57.14 -14.41 3.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.27 30.19 12.94 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.456 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.91 151.24 25.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.342 . . . . 0.0 111.102 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.1 mttm -89.72 135.22 33.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -104.4 111.21 23.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -103.83 143.47 26.71 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.579 0.704 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -12.39 32.83 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.654 2.236 . . . . 0.0 112.367 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -163.42 164.2 24.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.539 ' CZ3' ' HB3' ' A' ' 60' ' ' SER . 41.0 t-105 -61.09 127.2 30.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.2 p -124.67 -177.9 3.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.5 ptt85 -78.42 -5.5 52.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -105.85 -13.1 15.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.539 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 1.8 m -65.4 129.98 41.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 67.8 p -103.99 -44.46 5.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -123.85 152.96 41.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 1.147 . . . . 0.0 109.585 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.616 HD22 HG21 ' A' ' 76' ' ' VAL . 7.1 tp -120.51 113.91 20.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.741 HG22 ' HZ ' ' A' ' 33' ' ' PHE . 27.5 mm -80.9 111.85 18.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.082 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 8.3 t -113.71 151.95 31.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.53 -28.75 21.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.524 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 0.0 OUTLIER -170.36 170.11 7.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -83.21 -176.41 6.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.6 m120 64.45 33.36 11.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -114.84 160.4 33.68 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.555 0.693 . . . . 0.0 111.16 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 -48.15 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.671 2.248 . . . . 0.0 112.394 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.9 mmtm -70.33 -14.16 62.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -72.48 -46.01 56.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.7 t -84.37 -26.91 28.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -58.77 -41.89 87.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.616 HG21 HD22 ' A' ' 63' ' ' LEU . 38.5 t -86.34 -14.86 10.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.658 HD13 ' HB1' ' A' ' 107' ' ' ALA . 32.6 tp -72.23 -40.89 67.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.67 -28.99 70.07 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.485 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 70.6 mt -70.71 -52.21 22.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.87 0.367 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 128.6 24.86 1.08 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.514 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -86.17 167.18 39.34 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.465 ' NE ' HD21 ' A' ' 105' ' ' LEU . 3.9 tpm_? -87.27 96.18 10.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.788 0.328 . . . . 0.0 110.898 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.477 HD11 ' CA ' ' A' ' 77' ' ' LEU . 28.1 mt -86.61 111.31 21.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.089 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.512 HG11 ' HB2' ' A' ' 101' ' ' SER . 11.2 m -131.39 167.96 25.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 80.6 mtt180 -81.29 177.06 9.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 88' ' ' TRP . 6.0 ptmm? -75.75 -39.96 56.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 86' ' ' LYS . 5.5 mm-40 -35.93 -32.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.467 ' N ' ' O ' ' A' ' 86' ' ' LYS . 23.2 t90 -55.75 -58.28 8.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 62.8 t -62.63 -53.59 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.463 HD11 ' NZ ' ' A' ' 86' ' ' LYS . 53.5 mt -49.89 -60.67 2.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -55.74 -45.64 77.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 4.3 m -54.06 -47.55 71.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -67.01 -55.38 14.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.646 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -44.78 -51.95 8.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 8.7 mtm -86.38 -8.81 57.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 79.9 mtm-85 50.33 40.76 23.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.83 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -140.43 162.48 35.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 26.7 ttt-85 -81.48 118.53 22.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 65.2 mt -107.87 148.91 38.31 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.585 0.707 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 101.38 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.359 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.512 ' HB2' HG11 ' A' ' 84' ' ' VAL . 99.7 p -63.69 -9.57 14.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -71.2 -11.0 60.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 38.0 mtt180 -95.63 -18.83 20.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -99.7 -1.51 37.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.465 HD21 ' NE ' ' A' ' 82' ' ' ARG . 26.7 mt -52.53 135.98 33.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.94 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.4 mtm -107.33 -37.78 6.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.658 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -66.06 123.94 21.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.096 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 60.15 146.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.481 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 86.93 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.676 2.25 . . . . 0.0 112.357 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 59.66 155.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 21.1 m -82.58 103.84 12.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.9 0.381 . . . . 0.0 110.876 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.1 t -108.41 -59.2 1.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.6 p -66.74 -43.95 82.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -105.48 85.14 2.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.841 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -72.05 157.41 37.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -39.29 137.2 0.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -66.68 -42.94 85.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 42.39 48.18 4.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.131 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 120' ' ' HIS . 58.3 m -107.57 92.84 4.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.438 ' C ' ' O ' ' A' ' 119' ' ' SER . 17.5 p80 -37.2 -35.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.624 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.41 ' N ' ' C ' ' A' ' 119' ' ' SER . 89.3 p -93.51 119.78 32.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.881 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -178.76 -141.27 4.29 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.461 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -121.85 56.55 0.63 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.473 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 75.3 m -103.5 141.91 35.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.924 0.393 . . . . 0.0 110.856 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 112.82 147.38 10.09 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.517 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -12.49 32.9 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.691 2.261 . . . . 0.0 112.319 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 22.8 m 45.24 47.08 10.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.892 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 14.0 m -115.41 175.13 5.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.5 m -59.75 142.26 53.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.88 0.372 . . . . 0.0 110.857 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.4 p -98.14 41.07 1.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.847 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.33 -158.99 13.95 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.49 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.7 m -144.48 134.98 24.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.897 0.38 . . . . 0.0 110.864 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.8 m -55.46 -59.85 4.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.4 168.29 14.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.517 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -151.35 144.04 16.67 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.656 0.741 . . . . 0.0 110.895 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 175.29 8.32 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.706 2.271 . . . . 0.0 112.285 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 39.0 mmt-85 -92.77 -22.61 19.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -83.77 134.06 45.17 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.636 0.732 . . . . 0.0 110.849 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 0.12 6.06 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.712 2.274 . . . . 0.0 112.364 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -38.54 113.87 0.33 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.937 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -103.58 131.68 50.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.7 -167.72 35.08 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.501 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -3.01 11.18 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.633 2.222 . . . . 0.0 112.364 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -87.41 -38.59 16.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -55.33 -34.03 63.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.595 HD12 HD23 ' A' ' 48' ' ' LEU . 2.1 mm? -60.03 -52.75 64.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.33 -17.56 32.44 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.47 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -87.35 -9.5 54.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.786 0.327 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 30.4 mt -78.62 -59.11 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.9 mt -105.55 39.52 1.74 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -66.3 118.19 9.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.08 14.99 63.47 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.442 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.9 t -109.05 149.44 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.378 . . . . 0.0 111.099 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.409 HG22 ' HB2' ' A' ' 51' ' ' LYS . 27.8 t -127.73 128.24 69.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.2 m -116.35 162.18 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 81.4 t -140.96 131.85 27.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.1 mt -88.46 121.19 30.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.3 t -148.15 105.63 3.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.57 20.26 8.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.615 ' CZ ' HG22 ' A' ' 64' ' ' ILE . 56.8 m-85 -119.13 159.37 24.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.851 0.358 . . . . 0.0 110.817 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -135.32 129.33 33.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.604 ' ND2' ' HE ' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -56.36 160.66 4.86 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.671 0.748 . . . . 0.0 110.866 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 54.1 Cg_endo -69.73 -3.58 7.74 Favored 'Cis proline' 0 C--N 1.342 0.206 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.354 -0.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.459 ' N ' ' HA ' ' A' ' 35' ' ' ASN . 2.6 t80 -49.51 -60.68 2.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.604 ' HE ' ' ND2' ' A' ' 35' ' ' ASN . 21.3 ptt85 -52.31 -44.34 65.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.821 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.44 ' N ' ' CG ' ' A' ' 38' ' ' ARG . 1.3 t -60.98 -31.89 71.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.824 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -76.39 -49.54 16.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.1 mt -53.1 -46.79 68.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.6 ttp180 -56.07 -60.38 3.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -42.94 -57.59 2.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -59.84 -43.76 94.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.0 -32.09 63.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 66.7 mt -68.89 -41.3 78.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.55 ' CD ' ' HE2' ' A' ' 93' ' ' HIS . 6.3 mt-10 -54.57 -51.87 63.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.595 HD23 HD12 ' A' ' 19' ' ' LEU . 20.9 mt -54.49 -16.22 2.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.41 30.34 12.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.484 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -105.72 152.8 22.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.839 0.352 . . . . 0.0 111.115 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.409 ' HB2' HG22 ' A' ' 27' ' ' VAL . 0.6 OUTLIER -89.02 141.29 28.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -112.09 109.26 18.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.405 ' HE ' HG21 ' A' ' 57' ' ' THR . 26.5 mmm180 -103.07 143.06 25.85 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.588 0.708 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -19.12 36.62 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.68 2.253 . . . . 0.0 112.327 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -153.4 154.5 34.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.577 ' CZ2' HG13 ' A' ' 76' ' ' VAL . 74.8 t-105 -60.29 125.98 25.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.405 HG21 ' HE ' ' A' ' 53' ' ' ARG . 1.5 t -131.72 171.44 13.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.117 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -63.17 -10.17 14.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.832 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -96.74 -17.74 20.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.814 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.409 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 2.1 m -71.16 123.34 21.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.6 p -95.6 -58.08 2.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.187 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -109.88 141.85 42.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.587 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.451 HD22 HG21 ' A' ' 76' ' ' VAL . 5.5 tp -110.52 131.73 54.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.615 HG22 ' CZ ' ' A' ' 33' ' ' PHE . 7.0 mm -96.97 107.21 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.089 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 6.1 t -111.13 151.26 28.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.38 -36.51 17.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -156.95 163.73 38.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.2 -178.1 4.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.157 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 61.75 46.01 7.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.846 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.9 158.84 48.96 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.548 0.69 . . . . 0.0 111.16 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -29.55 23.66 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.667 2.245 . . . . 0.0 112.362 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.42 -18.57 31.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.509 ' CE1' HD12 ' A' ' 77' ' ' LEU . 33.1 t80 -73.27 -52.51 13.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.7 m -60.5 -45.05 95.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -50.88 -68.81 0.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.577 HG13 ' CZ2' ' A' ' 56' ' ' TRP . 42.3 t -55.89 -14.92 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.117 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.509 HD12 ' CE1' ' A' ' 73' ' ' TYR . 3.1 tt -71.19 -48.56 50.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -73.96 -38.87 47.78 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.564 HD13 ' HE1' ' A' ' 56' ' ' TRP . 22.4 mt -51.24 -54.31 27.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.954 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 129.98 21.93 1.18 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -87.65 169.7 39.39 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -98.63 97.06 8.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.809 0.338 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.473 HG21 ' CD2' ' A' ' 73' ' ' TYR . 19.4 mt -82.44 120.54 34.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.127 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.75 HG11 ' HB3' ' A' ' 101' ' ' SER . 2.7 m -130.18 174.57 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -84.98 175.6 8.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HG3' HD12 ' A' ' 90' ' ' LEU . 7.7 ptpt -73.31 -38.89 65.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -41.09 -32.7 0.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -46.34 -57.63 4.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 90' ' ' LEU . 40.3 t -68.9 -63.22 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.514 HD12 ' HG3' ' A' ' 86' ' ' LYS . 51.8 mt -37.33 -50.18 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 92' ' ' CYS . 30.5 m-20 -71.54 -65.17 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 91' ' ' ASP . 9.2 m -35.08 -36.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.55 ' HE2' ' CD ' ' A' ' 47' ' ' GLU . 54.5 t-80 -79.1 -59.65 2.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.619 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -42.18 -54.99 3.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 33.4 mtm -82.23 -8.53 59.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 46.6 mtm180 50.41 43.89 26.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -143.9 158.5 43.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 14.7 ttt180 -83.09 118.07 23.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 67.5 mt -104.16 148.7 36.33 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.572 0.701 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 100.49 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.686 2.258 . . . . 0.0 112.342 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.75 ' HB3' HG11 ' A' ' 84' ' ' VAL . 1.3 m -57.09 -18.61 15.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.471 ' HA ' ' CD1' ' A' ' 105' ' ' LEU . 44.8 mt-30 -59.93 -13.19 9.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -93.9 -31.01 14.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -93.17 -2.24 55.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 102' ' ' GLN . 18.1 mt -45.64 130.3 8.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.413 ' SD ' HG22 ' A' ' 83' ' ' ILE . 71.8 mtp -96.0 -49.13 5.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -95.27 159.62 14.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 89.42 147.9 17.26 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.49 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -22.09 32.76 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.689 2.26 . . . . 0.0 112.364 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 161.62 -110.86 0.45 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.3 p -78.92 92.56 4.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.832 0.349 . . . . 0.0 110.889 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 37.2 t -118.69 -53.19 2.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 89.5 p -100.78 42.44 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -70.48 83.1 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -75.23 177.17 6.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -43.23 141.18 1.32 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -112.0 17.33 19.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -85.02 85.93 7.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 84.7 p -129.35 163.46 25.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -143.33 -178.85 6.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.604 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 54.1 p -95.65 -33.27 12.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.966 -1.016 . . . . 0.0 110.854 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 67.73 -159.56 50.63 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -165.5 -155.03 8.39 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.436 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 58.7 m -41.65 136.76 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.937 0.399 . . . . 0.0 110.856 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -126.31 171.66 18.06 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.495 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 161.75 44.74 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.672 2.248 . . . . 0.0 112.333 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 50.9 m -68.08 132.5 47.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 65.9 p -72.28 -39.57 68.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.834 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.5 p -143.42 173.46 11.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.88 0.371 . . . . 0.0 110.87 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t 47.51 41.96 13.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 44.68 76.16 0.14 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.53 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.5 p -66.03 123.47 19.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 0.0 110.847 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.6 m -82.84 104.71 13.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.69 107.93 0.23 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -166.04 151.68 8.05 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.67 0.747 . . . . 0.0 110.858 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 173.13 11.41 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.372 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 -125.53 -27.39 3.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.469 ' CG ' ' HD2' ' A' ' 12' ' ' PRO . 9.6 ttm180 -71.95 140.37 83.35 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.61 0.719 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 11' ' ' ARG . 53.9 Cg_endo -69.73 116.39 4.54 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.697 2.265 . . . . 0.0 112.336 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -163.72 140.13 6.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.09 107.04 18.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -88.14 -159.15 34.3 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.497 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -0.15 6.49 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.693 2.262 . . . . 0.0 112.343 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -75.94 -54.66 6.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.839 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -56.79 -48.56 77.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.648 HD22 ' HB3' ' A' ' 47' ' ' GLU . 5.5 mp -70.39 -38.76 74.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.6 -15.54 26.07 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.462 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.429 ' NZ ' ' HA ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -94.7 5.28 52.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.762 0.315 . . . . 0.0 110.901 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.562 HG23 ' HG3' ' A' ' 98' ' ' ARG . 63.2 mt -89.21 -55.27 6.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 72.8 mt -111.76 42.61 1.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.898 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -64.91 107.79 1.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.65 28.86 7.68 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.8 t -119.94 147.64 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 0.0 111.129 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.9 t -124.91 120.8 59.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.539 HG21 ' HB1' ' A' ' 45' ' ' ALA . 10.7 m -112.58 146.25 17.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.102 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.431 HG22 ' HB2' ' A' ' 53' ' ' ARG . 67.6 t -125.85 121.45 59.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.135 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.643 HD12 ' CE1' ' A' ' 52' ' ' TYR . 88.4 mt -82.07 123.26 28.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.0 t -147.01 106.29 3.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.84 37.6 2.34 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.466 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.501 ' CE1' ' HB2' ' A' ' 66' ' ' ALA . 77.3 m-85 -130.42 161.2 31.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.792 0.329 . . . . 0.0 110.854 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -139.19 122.38 16.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.517 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 1.8 p30 -50.94 156.34 1.73 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.626 0.726 . . . . 0.0 110.921 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.5 Cg_endo -69.76 -24.71 8.42 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.332 -0.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' PRO . 7.5 t80 -37.03 -51.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -51.93 -49.64 62.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.8 t -62.73 -63.28 1.26 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -42.36 -49.87 5.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.409 HD23 HD22 ' A' ' 30' ' ' LEU . 59.1 tp -60.81 -41.16 95.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.445 ' HB2' HD11 ' A' ' 30' ' ' LEU . 26.3 ttp180 -61.69 -43.49 98.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -52.69 -61.7 2.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -48.17 -45.3 33.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.539 ' HB1' HG21 ' A' ' 28' ' ' VAL . . . -53.83 -40.94 66.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 22.5 mt -68.31 -43.22 78.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.648 ' HB3' HD22 ' A' ' 19' ' ' LEU . 1.1 mp0 -53.31 -47.76 68.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.5 mt -60.91 -12.61 11.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.53 15.08 44.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.504 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.17 145.27 24.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.358 . . . . 0.0 111.07 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -87.2 133.71 33.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.643 ' CE1' HD12 ' A' ' 30' ' ' LEU . 4.0 t80 -102.73 113.28 26.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.584 ' HD2' HG21 ' A' ' 57' ' ' THR . 12.2 mmt-85 -111.28 144.09 29.77 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.652 0.739 . . . . 0.0 110.86 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -34.55 14.51 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.668 2.245 . . . . 0.0 112.367 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.71 156.56 46.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.566 ' CZ2' HG13 ' A' ' 76' ' ' VAL . 60.8 t-105 -53.68 107.59 0.27 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.584 HG21 ' HD2' ' A' ' 53' ' ' ARG . 5.8 p -94.97 166.87 11.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.105 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.4 ttt85 -61.47 -37.58 84.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.446 ' O ' HG23 ' A' ' 61' ' ' THR . 1.5 m-20 -73.71 -15.68 61.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.543 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 70.8 m -42.89 120.67 1.84 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 59' ' ' ASP . 73.9 p -110.05 -34.69 6.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.199 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.441 ' CD2' ' HB3' ' A' ' 82' ' ' ARG . 10.4 m80 -141.61 135.93 30.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.102 . . . . 0.0 109.578 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.977 HD22 HG21 ' A' ' 76' ' ' VAL . 14.3 tp -100.63 122.39 43.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.968 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.0 mm -87.31 93.36 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.161 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.7 t -95.86 163.85 12.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.501 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . . . -110.01 -35.09 6.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' A' ' 67' ' ' PHE . 1.1 p90 -156.76 150.23 24.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.83 -179.89 1.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 46.9 m-20 65.92 29.59 10.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -105.45 156.23 36.69 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.627 0.727 . . . . 0.0 111.137 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -16.04 37.28 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.673 2.249 . . . . 0.0 112.305 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.7 tptt -97.38 -24.79 15.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -68.21 -37.92 81.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.7 t -84.62 -17.81 37.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -77.67 -46.03 23.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.977 HG21 HD22 ' A' ' 63' ' ' LEU . 39.9 t -75.95 -14.8 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.482 ' CD1' ' HB1' ' A' ' 107' ' ' ALA . 15.7 tp -74.47 -52.0 13.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.2 -34.56 74.12 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.461 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.408 HD13 ' NE1' ' A' ' 56' ' ' TRP . 25.3 mt -67.92 -62.49 1.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.356 . . . . 0.0 110.955 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 135.65 37.17 0.19 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.429 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -101.21 151.3 18.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.546 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.481 ' HD2' HD21 ' A' ' 105' ' ' LEU . 14.3 tpp180 -73.26 95.9 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.741 0.305 . . . . 0.0 110.854 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 18.2 mt -80.99 114.21 21.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.534 HG11 ' HB3' ' A' ' 101' ' ' SER . 11.6 m -132.28 160.19 42.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.401 ' HG3' ' CG ' ' A' ' 106' ' ' MET . 63.8 mtp180 -82.37 168.8 17.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 87' ' ' GLU . 25.9 pttm -62.67 -37.28 85.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 86' ' ' LYS . 29.7 mt-10 -36.23 -40.88 0.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 29.7 t90 -52.28 -56.22 16.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.925 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 89.2 t -63.31 -58.99 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 24.9 mt -43.0 -46.29 5.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.445 ' HB3' ' CD1' ' A' ' 99' ' ' LEU . 2.4 m-20 -71.31 -49.73 39.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 55.7 m -48.84 -45.32 40.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.483 ' CD2' ' CD2' ' A' ' 19' ' ' LEU . 59.2 t-80 -72.68 -58.13 3.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.615 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 35.4 ttt-85 -44.82 -33.0 1.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.847 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 9.1 mtm -104.16 -9.66 18.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 93' ' ' HIS . 15.4 mtm-85 49.45 45.94 23.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -150.06 175.08 12.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.562 ' HG3' HG23 ' A' ' 22' ' ' ILE . 23.8 mtm180 -89.0 127.58 35.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.445 ' CD1' ' HB3' ' A' ' 91' ' ' ASP . 66.0 mt -116.01 150.28 44.8 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.615 0.721 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 99.03 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.634 2.223 . . . . 0.0 112.35 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.534 ' HB3' HG11 ' A' ' 84' ' ' VAL . 50.3 m -53.34 -30.18 38.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.821 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.451 ' HA ' ' CD1' ' A' ' 105' ' ' LEU . 1.2 mp0 -48.5 -50.68 30.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 34.5 mtm180 -57.68 -20.07 31.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -112.75 38.05 2.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.485 HD13 ' HA3' ' A' ' 110' ' ' GLY . 14.1 mt -88.47 125.94 34.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.868 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.401 ' CG ' ' HG3' ' A' ' 85' ' ' ARG . 31.1 mtp -89.54 -57.05 3.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.482 ' HB1' ' CD1' ' A' ' 77' ' ' LEU . . . -65.0 143.97 57.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.11 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 50.36 179.92 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 110' ' ' GLY . 53.3 Cg_endo -69.82 -43.69 2.46 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.669 2.246 . . . . 0.0 112.316 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.485 ' HA3' HD13 ' A' ' 105' ' ' LEU . . . 34.79 80.49 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.7 m -161.7 146.0 12.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 0.0 110.851 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.2 t -46.09 -48.39 17.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.848 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.9 m -50.94 -47.72 60.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -117.51 89.56 3.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -60.69 163.6 5.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -67.93 145.17 54.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.826 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -80.85 -58.54 3.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 119' ' ' SER . . . -49.19 -56.28 9.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 118' ' ' ALA . 2.9 t -35.81 127.9 0.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.446 ' CG ' ' O ' ' A' ' 120' ' ' HIS . 1.4 p80 -136.74 111.15 8.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.612 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.7 m -114.6 163.72 15.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.846 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 61.66 171.49 1.02 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.45 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -86.21 -136.17 4.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.476 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.6 t -120.4 149.16 42.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.948 0.404 . . . . 0.0 110.841 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 127.77 87.27 0.56 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.53 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -41.9 3.93 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.712 2.274 . . . . 0.0 112.38 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 128' ' ' SER . 6.4 m -156.91 133.25 9.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 127' ' ' SER . 2.0 t -34.74 135.08 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.514 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.0 m -157.73 167.25 30.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 110.868 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.8 p -150.05 164.82 34.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.36 115.6 0.93 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.454 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 t -159.23 124.97 4.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.864 0.364 . . . . 0.0 110.822 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 m -138.05 139.88 39.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.3 97.83 1.76 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -124.47 144.11 45.1 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.586 0.708 . . . . 0.0 110.914 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 150.72 68.42 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.665 2.244 . . . . 0.0 112.313 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -83.52 107.49 16.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.2 mmt-85 -134.41 144.06 49.45 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.663 0.744 . . . . 0.0 110.848 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 101.01 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.73 2.287 . . . . 0.0 112.342 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 68.7 mtm180 -128.37 139.44 52.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -102.11 40.87 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.52 146.2 1.15 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.522 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -3.78 12.72 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.667 2.245 . . . . 0.0 112.309 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 15.5 pt-20 -73.54 -46.74 45.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.407 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 6.4 tp10 -52.48 -47.38 66.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.708 HD22 ' HB3' ' A' ' 47' ' ' GLU . 5.5 mp -83.75 -36.17 23.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.07 -9.89 24.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.461 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -104.36 7.71 35.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.512 HD11 ' O ' ' A' ' 96' ' ' ARG . 88.1 mt -91.59 -59.07 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.476 ' CD1' HD13 ' A' ' 48' ' ' LEU . 21.1 mt -102.87 38.55 1.71 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -65.99 120.21 12.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.46 8.13 64.46 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.539 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 23.5 t -106.06 143.05 17.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.869 0.366 . . . . 0.0 111.152 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.454 HG13 ' HB2' ' A' ' 51' ' ' LYS . 21.3 t -124.57 117.12 49.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.173 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.2 m -106.93 163.79 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.7 t -136.5 126.27 39.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.151 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.6 mt -84.18 117.23 23.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.5 t -131.69 137.07 48.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 67.36 37.45 90.51 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.472 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.575 ' CE1' ' CD2' ' A' ' 41' ' ' LEU . 88.4 m-85 -120.19 141.45 49.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.843 0.354 . . . . 0.0 110.851 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -126.5 124.69 40.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.916 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.541 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 1.2 p30 -51.2 154.18 2.96 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.588 0.709 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 54.1 Cg_endo -69.68 -25.75 7.78 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.403 -0.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.448 ' C ' ' O ' ' A' ' 36' ' ' PRO . 6.3 t80 -34.67 -57.16 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -50.66 -42.16 56.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 36' ' ' PRO . 66.7 m -67.97 -57.87 5.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.839 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -50.36 -49.82 53.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.575 ' CD2' ' CE1' ' A' ' 33' ' ' PHE . 24.7 tp -57.49 -42.24 82.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -56.78 -60.09 4.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.635 ' HA ' HD12 ' A' ' 46' ' ' LEU . 3.9 t70 -44.03 -55.78 4.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.43 ' HG2' ' ND1' ' A' ' 93' ' ' HIS . 82.3 mttt -51.19 -45.31 61.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.12 -29.97 70.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.083 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.635 HD12 ' HA ' ' A' ' 43' ' ' ASP . 38.1 mt -72.84 -43.21 62.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.708 ' HB3' HD22 ' A' ' 19' ' ' LEU . 21.1 mm-40 -51.27 -51.85 50.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.476 HD13 ' CD1' ' A' ' 23' ' ' LEU . 21.0 mt -55.79 -18.05 7.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.96 20.67 25.38 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.455 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.69 151.01 20.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 111.088 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.454 ' HB2' HG13 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -92.44 124.52 36.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -94.61 112.88 24.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.4 mmp_? -106.61 143.74 27.63 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.617 0.722 . . . . 0.0 110.855 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -25.74 28.34 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.684 2.256 . . . . 0.0 112.32 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -140.42 155.99 46.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.53 ' CZ3' ' HB2' ' A' ' 63' ' ' LEU . 75.8 t-105 -62.44 89.4 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 t -83.55 158.53 21.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.9 ttm-85 -59.82 -13.49 10.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -89.56 -23.42 22.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.429 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 3.2 m -57.84 132.89 54.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 13.1 p -107.07 -38.94 5.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.114 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -126.14 141.62 51.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.578 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.657 HD22 HG21 ' A' ' 76' ' ' VAL . 9.2 tp -110.76 133.67 53.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.439 HG23 ' HA ' ' A' ' 86' ' ' LYS . 33.1 mm -103.2 98.08 6.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 5.0 t -94.48 138.66 32.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.401 ' C ' ' CD1' ' A' ' 67' ' ' PHE . . . -69.76 -39.69 76.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 66' ' ' ALA . 0.8 OUTLIER -165.29 168.24 17.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.475 ' C ' ' CG ' ' A' ' 69' ' ' ASN . . . -68.27 -175.56 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.057 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.475 ' CG ' ' C ' ' A' ' 68' ' ' ALA . 0.2 OUTLIER 49.44 44.57 23.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.1 p -118.43 158.62 46.4 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.585 0.707 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -35.46 12.71 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.704 2.269 . . . . 0.0 112.354 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -81.49 -14.9 56.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -78.0 -41.26 36.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 t -90.49 -9.73 46.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.829 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -82.1 -36.29 27.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.657 HG21 HD22 ' A' ' 63' ' ' LEU . 43.3 t -90.07 -14.84 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.9 tp -71.5 -51.31 24.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.84 -36.2 89.21 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.515 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 76' ' ' VAL . 19.9 mt -65.96 -42.07 90.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.868 0.366 . . . . 0.0 110.927 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 113.52 35.32 1.6 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.481 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -95.1 167.68 26.7 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -88.66 95.07 10.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.762 0.315 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.6 HG23 HD23 ' A' ' 63' ' ' LEU . 18.8 mt -86.85 114.69 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.816 HG11 ' OG ' ' A' ' 101' ' ' SER . 17.7 m -132.07 147.8 32.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 41.2 mtt85 -60.72 170.82 1.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 88' ' ' TRP . 49.5 pttt -75.24 -35.03 61.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -38.65 -26.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.489 ' N ' ' O ' ' A' ' 86' ' ' LYS . 16.0 t90 -62.15 -60.35 3.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 93.1 t -59.21 -43.1 88.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.121 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' ' 86' ' ' LYS . 4.1 mm? -53.24 -56.08 19.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 93' ' ' HIS . 7.3 m-20 -59.14 -63.05 1.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.447 ' C ' ' O ' ' A' ' 91' ' ' ASP . 81.6 m -34.57 -33.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.483 ' N ' ' O ' ' A' ' 91' ' ' ASP . 31.3 t-80 -87.16 -58.65 2.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.592 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -38.41 -44.08 0.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.443 ' CE ' ' HB3' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -99.1 -25.13 14.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.512 ' O ' HD11 ' A' ' 22' ' ' ILE . 13.3 mtt85 70.89 35.61 1.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.539 ' HD2' HD21 ' A' ' 99' ' ' LEU . 7.1 ptp85 -131.93 165.52 23.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 24.6 ttt85 -83.03 123.23 29.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.539 HD21 ' HD2' ' A' ' 97' ' ' ARG . 26.0 mt -119.0 150.21 48.28 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.587 0.708 . . . . 0.0 110.946 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 129.49 17.71 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.716 2.278 . . . . 0.0 112.358 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.816 ' OG ' HG11 ' A' ' 84' ' ' VAL . 3.9 t -83.49 -12.45 56.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.471 ' HA ' ' CD1' ' A' ' 105' ' ' LEU . 17.9 pt20 -69.24 -26.07 64.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.948 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 38.4 mtp180 -80.6 -22.7 40.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -98.83 -5.18 31.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 102' ' ' GLN . 14.4 mt -46.14 131.72 10.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.1 mtp -89.6 -63.85 1.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -82.7 176.33 9.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 63.46 153.92 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -38.46 7.72 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.707 2.271 . . . . 0.0 112.355 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 160.19 -152.72 23.58 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.442 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 36.6 m -108.33 73.49 0.88 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.868 0.366 . . . . 0.0 110.86 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.3 t -93.76 83.21 4.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 67.1 m 62.72 39.96 10.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -113.9 78.37 1.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -104.69 128.01 52.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -63.24 149.97 44.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -69.35 -50.69 44.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -163.12 106.83 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.091 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.0 m -64.23 158.39 23.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -95.96 148.5 22.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.561 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.1 m -120.56 -46.74 2.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.838 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 68.25 153.53 0.49 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.532 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -107.35 113.28 3.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.514 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 4.9 t -125.8 172.83 9.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.901 0.382 . . . . 0.0 110.882 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -166.08 162.11 35.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.528 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -35.72 12.04 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.706 2.271 . . . . 0.0 112.314 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 43.6 t -94.48 -44.0 8.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.9 m -70.67 169.18 14.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.495 -179.959 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.9 t -168.05 132.82 1.77 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.893 0.378 . . . . 0.0 110.832 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -111.28 148.14 33.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.809 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.83 93.97 0.32 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.477 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.5 t -136.54 109.37 7.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.867 0.365 . . . . 0.0 110.867 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.1 t -117.99 144.98 45.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.824 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.71 56.02 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -132.25 144.12 51.76 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.614 0.721 . . . . 0.0 110.882 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 116.98 4.81 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.738 2.292 . . . . 0.0 112.323 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -90.62 136.14 33.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.408 ' O ' ' NH1' ' A' ' 13' ' ' ARG . 81.7 mtt180 -48.35 143.79 6.92 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.605 0.717 . . . . 0.0 110.886 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 127.39 14.53 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.67 2.247 . . . . 0.0 112.318 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.408 ' NH1' ' O ' ' A' ' 11' ' ' ARG . 0.7 OUTLIER -114.17 146.63 40.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.833 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.33 102.33 14.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.105 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -98.26 -158.21 29.99 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.461 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.424 ' O ' ' N ' ' A' ' 20' ' ' GLY . 54.1 Cg_endo -69.71 2.51 3.44 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.705 2.27 . . . . 0.0 112.362 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -71.51 -65.93 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -55.97 -35.74 67.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.894 HD22 ' HB3' ' A' ' 47' ' ' GLU . 5.8 mp -81.91 -37.49 26.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.95 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 16' ' ' PRO . . . -56.49 -26.03 51.1 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -84.62 4.91 30.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.756 0.312 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.402 HD11 ' C ' ' A' ' 96' ' ' ARG . 41.9 mt -92.19 -58.31 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.153 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.4 mt -108.29 34.17 3.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -59.29 111.06 1.22 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.83 32.49 9.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.466 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.6 t -120.65 151.2 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 111.112 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.0 t -128.03 117.57 46.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.09 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.4 m -110.93 153.83 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.101 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.3 t -128.98 122.23 56.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.626 HD22 HD23 ' A' ' 41' ' ' LEU . 89.8 mt -82.16 123.41 28.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 m -140.93 132.57 27.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 74.85 31.22 58.41 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.502 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.653 ' CZ ' ' CD2' ' A' ' 41' ' ' LEU . 59.2 m-85 -112.27 161.02 17.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.789 0.328 . . . . 0.0 110.884 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.439 ' N ' ' HB2' ' A' ' 38' ' ' ARG . 9.4 tp60 -144.03 131.92 21.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.537 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -62.05 154.16 70.45 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.622 0.725 . . . . 0.0 110.891 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.9 Cg_endo -69.78 -30.91 4.88 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.649 -1.813 . . . . 0.0 112.389 -0.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' A' ' 36' ' ' PRO . 12.3 t80 -34.49 -58.73 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.439 ' HB2' ' N ' ' A' ' 34' ' ' GLN . 21.3 ttm180 -45.53 -49.46 13.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.4 t -64.03 -57.62 9.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -46.7 -53.71 11.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.653 ' CD2' ' CZ ' ' A' ' 33' ' ' PHE . 23.5 tp -46.54 -40.24 12.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.945 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.438 ' NE ' ' CD2' ' A' ' 52' ' ' TYR . 28.0 ttt180 -68.17 -49.29 61.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -43.21 -56.69 3.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -60.79 -49.05 79.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.78 -33.37 16.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.102 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 51.4 mt -69.12 -42.09 76.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.894 ' HB3' HD22 ' A' ' 19' ' ' LEU . 36.3 mm-40 -55.35 -43.65 75.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.6 mt -62.82 -14.65 48.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.929 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.79 23.42 33.18 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.492 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.73 152.27 18.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.885 0.374 . . . . 0.0 111.084 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.435 ' N ' ' HE3' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -89.54 130.92 35.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.619 ' CE1' HD12 ' A' ' 30' ' ' LEU . 3.4 t80 -101.81 107.61 18.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -106.2 143.58 27.23 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.716 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -29.37 24.05 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.681 2.254 . . . . 0.0 112.358 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -140.41 160.53 39.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.543 ' CZ3' ' HB3' ' A' ' 60' ' ' SER . 62.2 t-105 -57.64 110.82 0.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 65.3 p -97.15 172.45 7.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -76.43 -2.24 31.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -111.53 -6.13 14.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.543 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 47.6 m -58.89 119.54 7.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 60.3 p -97.94 -33.34 11.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.171 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.445 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 21.6 m80 -137.45 147.41 45.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.582 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.486 HD22 HG21 ' A' ' 76' ' ' VAL . 10.2 tp -116.72 119.0 34.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.514 HG23 ' HA ' ' A' ' 86' ' ' LYS . 12.9 mm -86.07 92.16 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 52.4 t -93.76 144.3 25.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -82.02 -44.42 16.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.086 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -152.5 145.06 24.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.5 -175.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.057 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 63.29 28.66 15.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.23 160.01 27.69 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.632 0.729 . . . . 0.0 111.089 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -34.24 14.8 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.644 2.229 . . . . 0.0 112.31 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.49 -25.4 45.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.967 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.773 ' OH ' ' HB2' ' A' ' 107' ' ' ALA . 38.3 t80 -62.09 -54.62 38.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.3 t -65.55 -41.97 92.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.846 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -49.79 -48.28 50.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.486 HG21 HD22 ' A' ' 63' ' ' LEU . 39.7 t -80.75 -15.02 12.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 49.2 tp -73.8 -43.63 58.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.4 -36.55 78.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.548 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 30.2 mt -60.99 -46.81 89.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.877 0.37 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 117.18 42.07 0.66 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.513 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -101.73 166.54 18.18 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.516 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.48 ' HD2' HD21 ' A' ' 105' ' ' LEU . 3.5 tpt180 -84.9 94.79 8.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 110.871 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 57.9 mt -85.53 114.89 26.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.717 HG11 ' OG ' ' A' ' 101' ' ' SER . 4.3 m -132.06 163.03 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.6 mtp85 -69.58 177.14 3.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.514 ' HA ' HG23 ' A' ' 64' ' ' ILE . 19.1 pttm -79.82 -29.79 40.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.414 ' O ' ' CG ' ' A' ' 91' ' ' ASP . 7.8 tt0 -50.67 -40.25 53.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 24.9 t90 -40.41 -33.07 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 92.4 t -88.53 -41.47 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.121 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 54.1 mt -61.36 -55.96 25.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 87' ' ' GLU . 0.7 OUTLIER -58.84 -47.95 83.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.821 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 96' ' ' ARG . 12.4 m -56.04 -52.11 65.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -60.03 -55.26 36.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.653 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -46.97 -52.38 14.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.406 ' CB ' ' HG2' ' A' ' 97' ' ' ARG . 11.3 mtm -84.21 -4.81 59.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 92' ' ' CYS . 30.0 mtm-85 47.43 44.04 16.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.406 ' HG2' ' CB ' ' A' ' 95' ' ' MET . 7.4 ptp180 -141.77 170.49 15.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 27.0 ttt-85 -93.92 114.6 26.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 72.3 mt -99.28 149.03 35.44 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.597 0.713 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 104.39 1.32 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.702 2.268 . . . . 0.0 112.311 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.717 ' OG ' HG11 ' A' ' 84' ' ' VAL . 38.8 t -51.77 -28.31 14.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -51.86 -36.79 49.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -73.76 -26.88 60.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.44 ' O ' HG12 ' A' ' 84' ' ' VAL . 97.2 m-85 -101.75 22.98 11.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.48 HD21 ' HD2' ' A' ' 82' ' ' ARG . 11.6 mt -69.54 119.89 14.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -83.88 -51.42 7.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.914 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.773 ' HB2' ' OH ' ' A' ' 73' ' ' TYR . . . -116.57 161.27 19.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.059 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 99.07 146.54 20.51 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.53 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -22.36 32.39 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.362 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 155.75 -164.54 32.22 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 78.5 p -77.67 85.4 4.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.865 0.365 . . . . 0.0 110.807 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.8 t -100.17 -60.72 1.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.5 t -124.67 54.27 1.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.825 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.75 61.34 2.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.42 ' C ' ' OE1' ' A' ' 115' ' ' GLU . 0.3 OUTLIER -74.26 156.21 37.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -125.53 168.27 13.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' A' ' 118' ' ' ALA . 17.1 mm-40 -107.63 -50.92 2.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 117' ' ' GLU . . . 68.77 42.54 1.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 34.9 t -128.34 132.87 48.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.812 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -94.5 140.0 30.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.582 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 12.6 t -98.28 -53.97 3.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.986 -1.007 . . . . 0.0 110.855 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 154.13 -176.92 31.83 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.529 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -77.96 98.43 1.45 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.491 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 28.6 t -118.69 123.52 45.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 0.0 110.859 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 169.59 83.46 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.468 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 170.38 16.78 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.691 2.261 . . . . 0.0 112.313 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.0 t -64.69 166.77 8.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 38.6 m -78.73 -177.63 5.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.5 p -170.74 139.19 1.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.358 . . . . 0.0 110.845 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.8 p -109.44 -44.93 3.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.34 165.82 6.95 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.444 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.1 m -157.13 149.36 22.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.851 0.358 . . . . 0.0 110.857 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -158.18 144.1 17.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.56 168.48 12.15 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.445 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -123.96 81.06 56.74 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.641 0.734 . . . . 0.0 110.901 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 101.96 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.357 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 11' ' ' ARG . 21.5 ttm180 -127.66 36.67 4.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -34.57 139.21 0.31 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.612 0.72 . . . . 0.0 110.857 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -51.02 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.68 2.254 . . . . 0.0 112.362 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.8 mtt180 -157.13 142.53 17.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 42.31 47.12 4.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.049 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.64 -158.51 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.461 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -0.73 7.29 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.684 2.256 . . . . 0.0 112.347 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -75.59 -64.38 1.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -41.34 -45.91 3.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.636 HD13 HD12 ' A' ' 22' ' ' ILE . 4.3 mm? -73.29 -48.25 36.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.13 -21.39 38.85 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -86.49 4.47 39.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.744 0.307 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.636 HD12 HD13 ' A' ' 19' ' ' LEU . 27.2 mt -93.17 -59.07 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.183 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.458 ' CD1' HD13 ' A' ' 48' ' ' LEU . 22.9 mt -105.08 40.97 1.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.519 HE21 ' N ' ' A' ' 25' ' ' GLY . 8.8 tp60 -63.62 112.49 2.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.519 ' N ' HE21 ' A' ' 24' ' ' GLN . . . 90.41 28.67 16.25 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.472 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.2 t -117.01 134.13 61.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 0.0 111.166 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.523 HG22 ' HB2' ' A' ' 51' ' ' LYS . 84.4 t -115.46 110.4 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.41 ' HB ' ' CG1' ' A' ' 64' ' ' ILE . 17.0 m -106.35 151.87 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.751 HG22 ' HB2' ' A' ' 53' ' ' ARG . 70.6 t -127.0 129.82 71.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.429 HD12 ' CE1' ' A' ' 52' ' ' TYR . 87.2 mt -81.96 123.48 28.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.6 m -139.89 105.86 5.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.07 39.52 3.52 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.483 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.584 ' CE1' ' CD2' ' A' ' 41' ' ' LEU . 92.9 m-85 -127.92 148.56 50.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -136.51 128.96 30.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.544 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 2.0 p30 -54.22 154.17 8.49 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.662 0.744 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 54.1 Cg_endo -69.77 -23.91 8.84 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.341 -0.018 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -41.39 -52.37 3.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 -50.03 -54.28 21.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.0 m -56.94 -60.35 3.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.1 tt0 -44.94 -51.72 9.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.584 ' CD2' ' CE1' ' A' ' 33' ' ' PHE . 28.4 tp -55.52 -46.33 77.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.464 ' HG3' ' CD2' ' A' ' 52' ' ' TYR . 36.5 ttp180 -57.77 -52.18 66.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.708 ' HA ' HD12 ' A' ' 46' ' ' LEU . 24.1 t0 -50.11 -53.41 27.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.865 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.441 ' HG2' ' ND1' ' A' ' 93' ' ' HIS . 64.1 mttt -52.57 -45.22 66.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.5 -36.11 75.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.708 HD12 ' HA ' ' A' ' 43' ' ' ASP . 27.2 mt -64.74 -42.05 95.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.417 ' C ' ' HB3' ' A' ' 19' ' ' LEU . 6.1 mm-40 -51.33 -53.42 36.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.458 HD13 ' CD1' ' A' ' 23' ' ' LEU . 6.8 mt -57.27 -12.78 2.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.1 27.74 25.02 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.49 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.57 155.86 17.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.873 0.368 . . . . 0.0 111.081 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.523 ' HB2' HG22 ' A' ' 27' ' ' VAL . 0.9 OUTLIER -92.64 130.28 38.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.464 ' CD2' ' HG3' ' A' ' 42' ' ' ARG . 1.8 t80 -101.03 113.59 26.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.751 ' HB2' HG22 ' A' ' 29' ' ' VAL . 13.1 mmp_? -108.75 143.98 28.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.61 0.719 . . . . 0.0 110.87 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -26.41 27.49 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.709 2.273 . . . . 0.0 112.3 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -143.84 164.0 31.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.667 ' CZ2' HG13 ' A' ' 76' ' ' VAL . 58.7 t-105 -61.05 108.35 0.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.941 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 39.3 p -100.48 166.88 10.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -69.96 -24.44 63.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.819 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -85.11 -14.22 47.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.494 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 28.1 m -55.51 139.78 42.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 39.6 p -109.44 -42.94 4.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.099 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.46 ' CE1' HH21 ' A' ' 82' ' ' ARG . 0.3 OUTLIER -127.98 161.87 28.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.644 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.732 HD23 HG21 ' A' ' 76' ' ' VAL . 1.2 tm? -119.92 121.09 38.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.963 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.679 ' N ' HD13 ' A' ' 63' ' ' LEU . 29.9 mm -90.61 97.73 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.159 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 41.3 t -105.24 140.25 38.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.414 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . . . -88.4 -40.07 13.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.414 ' CE1' ' HB3' ' A' ' 66' ' ' ALA . 0.4 OUTLIER -154.26 137.95 16.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.05 -178.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 65.62 45.26 2.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.2 p -125.39 158.17 65.16 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.563 0.697 . . . . 0.0 111.176 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -25.71 28.33 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.68 2.253 . . . . 0.0 112.316 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm -90.28 -34.68 15.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.472 ' CZ ' HD12 ' A' ' 77' ' ' LEU . 37.7 t80 -57.22 -59.22 5.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.6 t -60.42 -46.42 90.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.827 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -47.33 -61.56 1.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.732 HG21 HD23 ' A' ' 63' ' ' LEU . 39.9 t -65.59 -14.93 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.472 HD12 ' CZ ' ' A' ' 73' ' ' TYR . 4.8 tt -77.21 -57.99 3.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.961 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.77 -39.32 87.0 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.505 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 76' ' ' VAL . 20.2 mt -55.67 -38.0 69.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.853 0.359 . . . . 0.0 110.946 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 114.93 13.67 9.1 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.496 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -78.25 161.88 49.18 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.469 ' HG3' HD21 ' A' ' 105' ' ' LEU . 24.3 ttp180 -84.34 100.85 11.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.782 0.325 . . . . 0.0 110.871 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.463 ' CD1' ' O ' ' A' ' 73' ' ' TYR . 12.2 mt -91.52 125.67 44.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.779 HG11 ' HB2' ' A' ' 101' ' ' SER . 2.3 m -136.73 157.79 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -75.93 160.83 29.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -60.02 -30.17 68.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -45.0 -29.43 0.84 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 19.1 t90 -59.85 -52.77 64.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 81.1 t -66.52 -50.95 62.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 33.6 mt -51.1 -56.88 10.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -59.31 -58.49 8.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 96' ' ' ARG . 64.3 m -43.54 -49.48 7.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.441 ' ND1' ' HG2' ' A' ' 44' ' ' LYS . 7.2 t-80 -58.94 -67.72 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.637 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 -41.06 -60.29 1.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.48 ' HB3' ' NE ' ' A' ' 97' ' ' ARG . 4.2 mmt -66.79 -24.71 66.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 92' ' ' CYS . 69.3 mtm180 62.34 33.24 16.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.48 ' NE ' ' HB3' ' A' ' 95' ' ' MET . 8.1 ptp180 -129.8 176.28 8.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 29.6 ttt-85 -97.85 88.54 4.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 20.8 mt -81.63 148.87 63.1 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.604 0.716 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 121.43 8.13 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.779 ' HB2' HG11 ' A' ' 84' ' ' VAL . 33.2 p -76.98 -23.12 52.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.84 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -55.22 -32.41 62.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -75.39 -16.23 60.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -110.71 30.31 6.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.469 HD21 ' HG3' ' A' ' 82' ' ' ARG . 16.3 mt -85.63 121.13 27.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.896 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 11.0 mtm -86.54 -52.1 5.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.14 120.1 3.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.149 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 40.27 -159.24 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.504 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -9.62 26.55 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.684 2.256 . . . . 0.0 112.307 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 121.69 -122.82 5.27 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.465 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.1 p -136.12 124.14 22.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.865 0.364 . . . . 0.0 110.896 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.4 t -100.24 82.74 2.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.7 m 43.75 43.67 5.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -118.98 96.89 5.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -145.28 170.45 16.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -78.04 110.76 13.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.833 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -65.83 -39.59 90.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -76.77 80.03 3.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.058 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.7 t -68.22 89.24 0.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -80.47 115.9 20.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.605 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 43.1 t -61.41 155.82 20.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.885 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -169.07 140.86 6.37 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -98.66 153.05 19.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.485 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 78.2 p -61.28 130.35 45.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.932 0.396 . . . . 0.0 110.848 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -98.68 146.6 18.22 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.451 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -174.31 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.261 . . . . 0.0 112.376 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 35.0 m -98.14 139.55 33.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.2 t 52.05 40.54 28.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.513 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.6 m -120.82 158.03 28.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.851 0.358 . . . . 0.0 110.842 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.8 m -129.88 173.24 10.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.45 -151.42 8.13 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.502 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.7 t -164.23 147.58 9.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.853 0.359 . . . . 0.0 110.863 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.6 t -75.62 124.77 27.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.83 90.86 0.81 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -117.94 142.33 30.7 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.673 0.749 . . . . 0.0 110.857 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 123.18 9.84 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.704 2.269 . . . . 0.0 112.304 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.64 154.0 41.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.44 155.42 39.7 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.655 0.74 . . . . 0.0 110.832 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -12.5 33.05 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.71 2.273 . . . . 0.0 112.313 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -69.18 172.92 6.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.48 ' HB3' ' NH1' ' A' ' 96' ' ' ARG . . . -70.06 81.33 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.72 -158.18 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.486 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 2.03 3.89 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.689 2.259 . . . . 0.0 112.317 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -67.39 -55.52 13.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -55.25 -56.18 22.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.683 HD22 ' HB3' ' A' ' 47' ' ' GLU . 5.4 mp -52.05 -51.92 54.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.956 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.45 -17.26 1.15 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.531 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.2 mttp -94.88 -28.36 15.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.709 0.29 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.5 HG23 ' HB2' ' A' ' 98' ' ' ARG . 62.4 mt -55.7 -59.03 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.153 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.468 ' CD1' HD13 ' A' ' 48' ' ' LEU . 66.8 mt -106.23 56.37 0.66 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -80.72 107.19 13.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.41 29.34 10.25 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.0 t -119.29 144.59 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 111.156 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.558 HG22 ' HE3' ' A' ' 51' ' ' LYS . 22.0 t -120.51 113.03 38.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.5 m -105.82 148.84 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.408 HG22 ' HB2' ' A' ' 53' ' ' ARG . 48.3 t -130.56 126.96 61.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.76 HD12 ' CE1' ' A' ' 52' ' ' TYR . 18.7 mt -87.55 124.94 34.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.7 t -141.47 105.44 4.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.812 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.6 50.09 1.73 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.488 ' HZ ' HG22 ' A' ' 64' ' ' ILE . 88.9 m-85 -125.35 161.83 26.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 0.0 110.868 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -140.05 124.83 18.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.491 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.3 OUTLIER -60.01 159.98 18.27 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.708 . . . . 0.0 110.901 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 54.1 Cg_endo -69.78 -27.33 6.89 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.336 -0.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 36' ' ' PRO . 13.6 t80 -36.76 -47.91 0.7 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -52.68 -55.9 19.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 95.2 p -59.23 -58.43 8.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -47.28 -51.91 17.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.4 tp -53.22 -48.64 67.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.513 ' HD2' ' CD2' ' A' ' 52' ' ' TYR . 27.0 ttp180 -57.21 -42.57 81.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -54.22 -59.51 4.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.515 ' HG3' ' CE1' ' A' ' 93' ' ' HIS . 1.7 mptp? -50.49 -45.65 56.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.651 ' HA ' HD12 ' A' ' 48' ' ' LEU . . . -55.26 -41.18 71.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.091 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.2 mt -63.33 -41.79 98.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.683 ' HB3' HD22 ' A' ' 19' ' ' LEU . 3.1 mp0 -56.56 -37.75 70.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.651 HD12 ' HA ' ' A' ' 45' ' ' ALA . 5.7 mt -70.88 -14.77 62.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.972 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.69 16.2 49.74 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.512 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.77 147.54 26.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.841 0.353 . . . . 0.0 111.07 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.558 ' HE3' HG22 ' A' ' 27' ' ' VAL . 32.9 mtmt -88.8 123.93 33.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.935 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.76 ' CE1' HD12 ' A' ' 30' ' ' LEU . 3.7 t80 -101.75 112.08 24.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.447 ' HE ' HG21 ' A' ' 57' ' ' THR . 32.1 mmm180 -107.63 143.53 27.45 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.61 0.719 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -12.53 33.18 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.721 2.28 . . . . 0.0 112.308 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -152.74 163.8 39.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.476 ' CZ2' HG13 ' A' ' 76' ' ' VAL . 72.8 t-105 -64.71 102.66 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.447 HG21 ' HE ' ' A' ' 53' ' ' ARG . 11.1 p -85.2 -175.85 5.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.13 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.26 -3.5 57.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -106.24 -15.47 14.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.827 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.407 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 64.1 m -51.58 129.17 25.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 71.5 p -110.63 -31.27 7.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.085 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -136.73 125.11 23.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.59 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.786 HD22 HG21 ' A' ' 76' ' ' VAL . 11.4 tp -95.07 114.1 25.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.99 -1.004 . . . . 0.0 110.857 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.606 HG23 ' HA ' ' A' ' 86' ' ' LYS . 43.8 mm -80.14 97.86 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 19.5 t -98.53 141.18 31.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.34 -33.82 23.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -160.96 145.1 13.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.57 -179.71 2.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.086 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 67.52 37.24 3.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.44 160.07 35.91 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.558 0.694 . . . . 0.0 111.156 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -29.91 23.35 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.668 2.245 . . . . 0.0 112.345 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.74 -26.72 27.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.691 ' CE1' HD12 ' A' ' 77' ' ' LEU . 3.0 t80 -63.82 -45.64 88.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.3 t -65.06 -47.48 77.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.843 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -47.41 -64.09 0.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.786 HG21 HD22 ' A' ' 63' ' ' LEU . 42.1 t -60.67 -14.86 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.691 HD12 ' CE1' ' A' ' 73' ' ' TYR . 4.6 tt -75.11 -46.25 35.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -72.08 -37.58 59.99 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.493 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 35.0 mt -58.07 -47.17 83.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.832 0.349 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 122.49 27.92 1.54 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -94.19 152.56 20.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -76.86 103.24 6.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.772 0.32 . . . . 0.0 110.911 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.61 HG12 HD23 ' A' ' 63' ' ' LEU . 21.0 mt -91.6 112.16 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.549 HG11 ' HB2' ' A' ' 101' ' ' SER . 17.4 m -126.21 167.46 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 29.7 mmm-85 -71.94 173.81 7.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.606 ' HA ' HG23 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -83.79 -33.82 24.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -47.21 -31.42 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 27.7 t90 -49.48 -49.74 44.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 89.4 t -65.33 -55.12 21.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.114 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 78.4 mt -49.14 -64.46 0.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -48.06 -48.74 33.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.8 m -53.67 -48.18 69.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.573 ' CD2' ' CD2' ' A' ' 19' ' ' LEU . 48.4 t-80 -67.32 -64.55 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.576 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -39.33 -54.22 1.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 28.3 mtm -80.8 -15.18 57.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.494 ' C ' HD11 ' A' ' 22' ' ' ILE . 60.3 mtm180 58.29 38.7 26.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -135.52 160.23 39.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.5 ' HB2' HG23 ' A' ' 22' ' ' ILE . 36.8 ttt-85 -88.6 117.23 27.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 26.1 mt -104.32 145.67 31.13 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.603 0.716 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 101.06 0.87 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.66 2.24 . . . . 0.0 112.357 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.549 ' HB2' HG11 ' A' ' 84' ' ' VAL . 24.0 p -43.51 -24.62 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.468 ' HA ' ' CD1' ' A' ' 105' ' ' LEU . 3.5 mp0 -52.83 -43.95 66.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -60.6 -17.54 47.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -117.51 34.64 5.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.48 HD11 ' HB3' ' A' ' 111' ' ' SER . 10.1 mt -84.37 109.92 18.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.927 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 12.3 mtm -89.97 -43.26 10.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.445 ' HB2' HD12 ' A' ' 83' ' ' ILE . . . -83.36 145.67 28.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 107' ' ' ALA . . . 59.21 145.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.46 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 89.24 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.654 2.236 . . . . 0.0 112.39 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 61.1 -173.38 6.38 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.501 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.48 ' HB3' HD11 ' A' ' 105' ' ' LEU . 94.0 p -124.53 115.01 20.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.836 0.351 . . . . 0.0 110.829 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 113' ' ' SER . 5.5 t -110.76 95.33 5.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 112' ' ' SER . 92.5 p 36.52 49.55 0.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -113.08 80.76 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -98.71 172.17 7.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -107.54 146.75 31.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -52.37 -45.84 65.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -108.47 43.02 1.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.072 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.0 m -49.27 -39.05 29.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.537 ' O ' ' CD2' ' A' ' 120' ' ' HIS . 12.8 p-80 -93.64 108.58 20.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.622 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 74.3 m -64.6 -55.29 21.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 137.07 -60.32 0.62 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.458 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 40.79 -128.49 3.21 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.1 t -169.44 175.27 5.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.921 0.391 . . . . 0.0 110.858 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -104.43 -94.39 2.33 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.513 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 143.2 50.28 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.697 2.264 . . . . 0.0 112.366 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 54.0 p -139.29 168.26 20.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 62.0 p -96.08 42.26 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.839 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 179.977 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -62.86 150.44 41.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.338 . . . . 0.0 110.876 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -156.53 125.71 6.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.799 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.99 123.52 0.68 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.477 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.5 p -110.61 114.8 28.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.881 0.372 . . . . 0.0 110.883 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 m -50.72 -48.7 58.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.35 68.23 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -54.74 148.59 25.93 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.658 0.742 . . . . 0.0 110.897 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 170.93 15.39 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.43 108.09 19.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.2 tpt180 -96.02 134.32 24.0 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.629 0.728 . . . . 0.0 110.837 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -18.72 36.97 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.651 2.234 . . . . 0.0 112.321 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.4 mmp_? -47.22 173.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.05 33.21 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.084 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.82 146.27 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.461 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -1.56 8.69 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.697 2.265 . . . . 0.0 112.346 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 18' ' ' GLU . 4.5 tp10 -72.32 -66.62 0.63 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' GLU . 7.0 mm-40 -37.5 -60.51 0.68 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.94 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.852 HD22 ' HB3' ' A' ' 47' ' ' GLU . 5.5 mp -61.82 -47.37 85.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.49 -15.14 2.72 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.17 -19.27 16.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.757 0.313 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.559 HD11 ' C ' ' A' ' 96' ' ' ARG . 75.4 mt -63.31 -58.4 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.417 ' CD1' HD13 ' A' ' 48' ' ' LEU . 48.8 mt -110.34 49.06 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.02 116.9 12.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.35 31.92 32.71 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.511 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.2 t -117.16 146.73 21.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.84 0.353 . . . . 0.0 111.175 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.494 HG21 ' OD2' ' A' ' 59' ' ' ASP . 57.7 t -119.24 119.4 60.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.5 m -116.29 146.32 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.5 t -120.49 125.88 74.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.701 HD12 ' CE1' ' A' ' 52' ' ' TYR . 94.8 mt -83.2 117.57 23.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.514 ' O ' ' CD2' ' A' ' 33' ' ' PHE . 7.7 t -124.13 153.82 40.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 39.38 53.28 2.82 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.512 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.514 ' CD2' ' O ' ' A' ' 31' ' ' SER . 45.3 m-85 -124.59 150.3 46.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 0.0 110.86 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -140.78 136.15 32.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.509 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.6 OUTLIER -65.85 160.47 61.94 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.591 0.71 . . . . 0.0 110.895 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.6 Cg_endo -69.79 -27.47 6.82 Favored 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.325 -0.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' A' ' 36' ' ' PRO . 51.5 t80 -35.37 -49.9 0.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -53.13 -53.5 49.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.1 p -57.62 -47.67 81.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -57.13 -53.22 60.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 39.8 tp -60.75 -44.43 96.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.591 ' NH1' HD11 ' A' ' 46' ' ' LEU . 2.9 tmm_? -51.89 -44.45 63.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.465 ' HA ' HD12 ' A' ' 46' ' ' LEU . 7.0 t70 -59.99 -55.95 27.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -48.03 -51.23 24.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.27 -35.97 39.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.077 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.591 HD11 ' NH1' ' A' ' 42' ' ' ARG . 42.1 mt -70.07 -46.45 64.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.852 ' HB3' HD22 ' A' ' 19' ' ' LEU . 17.0 mm-40 -51.18 -44.96 61.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.526 ' CD1' HG13 ' A' ' 89' ' ' VAL . 8.9 mt -65.29 -17.13 64.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.43 30.45 9.89 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.498 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.23 152.24 20.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 111.08 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -92.1 122.69 34.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.701 ' CE1' HD12 ' A' ' 30' ' ' LEU . 1.3 t80 -97.28 108.55 21.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -105.06 143.26 26.37 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.623 0.725 . . . . 0.0 110.853 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -20.58 34.58 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.728 2.285 . . . . 0.0 112.32 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -143.97 159.05 43.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.553 ' CZ3' ' HB3' ' A' ' 60' ' ' SER . 62.4 t-105 -57.27 105.49 0.24 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.3 p -92.57 170.44 9.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -78.02 -1.61 33.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.494 ' OD2' HG21 ' A' ' 27' ' ' VAL . 30.2 t0 -108.43 -7.36 15.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.553 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 4.3 m -59.64 125.5 23.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.469 ' C ' ' ND1' ' A' ' 62' ' ' HIS . 22.0 p -108.31 -30.9 8.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.1 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.58 ' CD2' ' CH2' ' A' ' 88' ' ' TRP . 0.2 OUTLIER -135.13 126.66 28.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.541 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.579 HD23 HG12 ' A' ' 83' ' ' ILE . 20.4 tp -95.59 120.22 35.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.606 HG23 ' HA ' ' A' ' 86' ' ' LYS . 13.2 mm -93.38 91.31 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 6.7 t -94.45 145.34 24.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -78.86 -42.91 26.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -161.05 161.08 31.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.53 -178.07 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 57.38 51.98 9.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.7 p -127.88 157.24 74.29 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.6 0.714 . . . . 0.0 111.115 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -18.81 37.09 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.676 2.25 . . . . 0.0 112.341 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -94.12 -31.94 13.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.532 ' CE2' HD12 ' A' ' 77' ' ' LEU . 73.5 t80 -56.99 -58.66 7.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.8 t -61.97 -49.08 77.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.802 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -43.36 -58.15 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.516 HG21 HD22 ' A' ' 63' ' ' LEU . 39.3 t -71.09 -14.97 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.532 HD12 ' CE2' ' A' ' 73' ' ' TYR . 2.2 tt -72.05 -52.17 18.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.95 -39.74 93.33 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.484 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 43.5 mt -53.9 -43.58 69.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.88 0.372 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 114.79 29.66 2.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.47 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -93.11 174.63 35.71 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.422 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.512 HH21 ' CE1' ' A' ' 62' ' ' HIS . 13.7 ttp-105 -97.79 105.27 17.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.328 . . . . 0.0 110.909 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.579 HG12 HD23 ' A' ' 63' ' ' LEU . 22.4 mt -91.97 113.48 27.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.585 HG11 ' HB2' ' A' ' 101' ' ' SER . 16.8 m -128.43 151.13 34.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.096 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.9 mtp180 -64.59 171.18 3.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.606 ' HA ' HG23 ' A' ' 64' ' ' ILE . 14.4 pttp -76.39 -23.48 54.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.496 ' HA ' HD12 ' A' ' 90' ' ' LEU . 16.1 mm-40 -50.42 -38.59 43.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.58 ' CH2' ' CD2' ' A' ' 62' ' ' HIS . 27.2 t90 -46.58 -43.02 16.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.526 HG13 ' CD1' ' A' ' 48' ' ' LEU . 93.5 t -72.91 -58.66 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.162 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 87' ' ' GLU . 13.1 mt -42.51 -71.36 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -44.5 -47.69 10.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.8 m -55.56 -43.74 76.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.443 ' CD2' ' CD2' ' A' ' 19' ' ' LEU . 18.6 t-80 -72.21 -63.59 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.584 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.7 tpp85 -42.44 -44.69 4.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.452 ' CB ' ' HG2' ' A' ' 97' ' ' ARG . 5.0 mtm -91.22 -11.49 38.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.559 ' C ' HD11 ' A' ' 22' ' ' ILE . 27.5 mtm-85 50.95 42.31 28.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.452 ' HG2' ' CB ' ' A' ' 95' ' ' MET . 5.1 ptp180 -137.1 158.75 43.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 17.0 ttt-85 -85.33 107.02 17.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.6 mt -102.33 148.86 36.04 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.561 0.695 . . . . 0.0 110.941 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 129.28 17.27 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.705 2.27 . . . . 0.0 112.281 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.585 ' HB2' HG11 ' A' ' 84' ' ' VAL . 64.6 p -71.09 -10.5 59.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -54.89 -53.53 54.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.584 ' HG3' ' CD2' ' A' ' 104' ' ' TYR . 3.3 ptp180 -63.22 -12.26 27.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.584 ' CD2' ' HG3' ' A' ' 103' ' ' ARG . 81.3 m-85 -112.81 28.03 9.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.0 mt -79.99 125.69 30.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.3 mtp -101.24 -36.18 9.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -114.75 179.72 3.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.84 146.22 0.53 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -4.56 14.29 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.665 2.243 . . . . 0.0 112.34 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 118.56 -147.78 18.49 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.463 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.8 m -83.93 83.18 8.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 0.0 110.887 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 91.3 p -82.07 43.97 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.3 m 57.02 43.83 23.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.98 25.71 1.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -111.33 163.29 14.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -108.8 164.51 12.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -62.88 -50.3 71.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -101.52 -61.66 1.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.0 t -152.16 148.37 27.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.85 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -95.82 -51.38 4.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.582 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.5 t -56.24 -51.63 67.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.873 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 120.29 -124.07 5.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 178.2 100.29 0.13 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.3 p -107.24 130.68 54.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.972 0.415 . . . . 0.0 110.85 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -96.78 179.34 34.17 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.452 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 88.35 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.692 2.262 . . . . 0.0 112.348 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 58.7 p -104.66 139.1 40.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.827 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 17.6 t -84.68 151.54 24.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.501 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 t -43.26 -56.37 3.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 0.0 110.896 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.9 p -69.51 113.09 6.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.91 -98.15 0.19 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.466 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.7 p -51.73 -47.28 64.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.929 0.395 . . . . 0.0 110.875 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.0 t -67.07 148.98 51.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.891 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.92 -144.69 5.94 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.505 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -155.94 144.06 14.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.639 0.733 . . . . 0.0 110.881 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 157.57 59.95 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.651 2.234 . . . . 0.0 112.346 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.9 mmt85 -133.06 138.03 46.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -146.9 143.94 19.26 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.559 0.695 . . . . 0.0 110.881 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -28.98 24.2 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.656 2.237 . . . . 0.0 112.313 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 15' ' ' GLY . 44.6 mtt-85 -77.44 143.61 38.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.418 ' HB1' ' CD ' ' A' ' 18' ' ' GLU . . . -64.41 74.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.099 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 13' ' ' ARG . . . -63.27 -158.24 0.17 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.465 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -2.3 9.94 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.706 2.271 . . . . 0.0 112.334 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -70.0 -42.45 73.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.795 ' HG2' HD12 ' A' ' 19' ' ' LEU . 6.2 pt-20 -65.54 -48.75 71.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.795 HD12 ' HG2' ' A' ' 18' ' ' GLU . 5.5 mp -61.42 -55.8 27.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.47 -17.61 2.02 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.503 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.9 mmtm -89.73 -26.85 20.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.692 0.282 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.492 HD11 ' O ' ' A' ' 96' ' ' ARG . 45.8 mt -57.51 -57.71 9.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.6 mt -106.76 57.3 0.64 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.939 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -78.88 112.54 16.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.6 23.69 41.98 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.8 t -110.5 146.24 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 0.0 111.103 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.417 HG22 ' HB2' ' A' ' 51' ' ' LYS . 65.0 t -124.06 115.0 43.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.1 m -105.25 153.95 6.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.174 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.9 t -128.47 125.85 64.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.0 mt -87.06 119.1 26.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.963 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 85.3 p -129.53 133.13 47.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 67.0 43.34 91.41 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.492 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.492 ' CE1' ' HB2' ' A' ' 66' ' ' ALA . 64.5 m-85 -126.28 150.68 48.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 0.0 110.861 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.4 pm0 -140.23 140.57 35.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.54 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 1.2 p-10 -62.31 154.17 72.45 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.564 0.697 . . . . 0.0 110.944 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.7 Cg_endo -69.79 -26.41 7.44 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.363 -0.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.435 ' C ' ' O ' ' A' ' 36' ' ' PRO . 1.7 t80 -34.85 -50.34 0.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -54.68 -47.71 73.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 36' ' ' PRO . 1.5 t -61.63 -48.53 80.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -56.49 -48.08 77.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.459 ' CD1' ' CE1' ' A' ' 33' ' ' PHE . 10.3 mt -61.76 -57.63 11.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -52.11 -46.7 65.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -53.32 -59.19 4.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -56.79 -38.24 72.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.33 -35.01 76.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.0 mt -69.42 -39.78 77.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.607 ' HB3' HD22 ' A' ' 19' ' ' LEU . 14.7 mm-40 -52.52 -52.17 56.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.4 mt -57.37 -18.77 19.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.04 22.12 23.71 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.34 154.84 17.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 111.127 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.417 ' HB2' HG22 ' A' ' 27' ' ' VAL . 14.2 mtpt -91.12 142.26 27.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -111.71 112.25 23.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -115.38 143.81 31.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.556 0.693 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -12.85 33.79 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.655 2.237 . . . . 0.0 112.374 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' A' ' 56' ' ' TRP . 7.5 t70 -151.72 169.65 21.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.588 ' CZ2' ' O ' ' A' ' 60' ' ' SER . 70.3 t-105 -74.58 121.92 22.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.7 p -110.31 -178.02 3.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.153 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.5 ptt85 -74.68 -4.53 37.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -110.45 -23.09 11.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.588 ' O ' ' CZ2' ' A' ' 56' ' ' TRP . 4.0 m -51.8 106.36 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.825 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.8 p -85.81 -45.09 11.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.137 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -122.42 148.01 45.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.57 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.675 HD23 HG23 ' A' ' 83' ' ' ILE . 3.7 tp -118.0 128.62 54.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.99 -1.004 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.5 mm -89.14 91.62 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 42.3 t -95.49 114.06 25.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.492 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . . . -67.27 -35.19 78.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -161.17 142.5 11.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.71 -175.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.102 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.3 m120 64.33 26.14 13.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -110.5 159.9 30.52 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.566 0.698 . . . . 0.0 111.156 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -19.33 36.29 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.733 2.289 . . . . 0.0 112.293 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.06 -18.24 24.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.866 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -76.41 -48.84 18.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.5 m -73.16 -31.68 64.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.838 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -61.17 -60.39 3.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.495 HG21 HD13 ' A' ' 63' ' ' LEU . 39.3 t -67.04 -14.96 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.569 ' CA ' HD11 ' A' ' 83' ' ' ILE . 37.8 tp -78.61 -50.44 11.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -62.05 -32.93 84.01 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 76' ' ' VAL . 9.1 mt -71.11 -57.52 4.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.801 0.334 . . . . 0.0 110.93 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 131.16 28.8 0.63 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -87.66 173.73 43.96 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.521 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.549 ' HG3' HD21 ' A' ' 105' ' ' LEU . 8.1 ttm180 -88.21 94.82 9.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 110.863 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.675 HG23 HD23 ' A' ' 63' ' ' LEU . 35.1 mt -84.26 120.61 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.109 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.408 HG11 ' HB2' ' A' ' 101' ' ' SER . 15.7 m -138.65 176.59 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.117 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -94.88 -178.13 4.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.4 pttm -77.48 -29.65 52.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -43.78 -32.24 1.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 19.9 t90 -58.99 -60.11 4.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 95.7 t -59.64 -52.36 61.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 28.4 mt -49.68 -57.36 7.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.453 ' HB3' HD11 ' A' ' 99' ' ' LEU . 3.8 m-20 -62.18 -41.6 98.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 2.8 m -56.4 -44.86 80.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -76.84 -60.77 2.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.57 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -43.27 -33.93 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 5.5 mtm -104.8 -11.84 16.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.492 ' O ' HD11 ' A' ' 22' ' ' ILE . 51.1 mtm180 52.54 41.83 31.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -137.82 166.11 24.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.477 ' HB2' HG23 ' A' ' 22' ' ' ILE . 47.4 ttt85 -92.63 115.3 27.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.453 HD11 ' HB3' ' A' ' 91' ' ' ASP . 58.0 mt -103.03 144.01 27.77 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.614 0.721 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 93.4 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 2.245 . . . . 0.0 112.352 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.408 ' HB2' HG11 ' A' ' 84' ' ' VAL . 16.2 p -49.6 -21.17 0.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -53.78 -25.11 17.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -92.45 -14.75 28.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -107.23 23.16 14.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.549 HD21 ' HG3' ' A' ' 82' ' ' ARG . 63.1 mt -84.2 133.39 34.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.934 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.4 mtm -90.62 -61.72 1.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -116.26 4.52 13.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.117 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -75.17 145.82 33.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.498 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -172.95 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.698 2.265 . . . . 0.0 112.354 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 112' ' ' SER . . . -75.28 116.94 5.13 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.1 t -61.56 77.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.873 0.368 . . . . 0.0 110.875 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 110' ' ' GLY . 63.5 p -78.71 -44.1 24.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.4 t -92.55 39.22 1.03 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.849 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -76.23 58.59 1.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -66.11 152.01 45.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -84.62 137.75 33.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.831 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -108.25 -48.45 3.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.47 80.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 89.9 p -97.36 168.72 10.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 -44.93 105.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.582 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 41.3 p -128.01 -178.78 4.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.867 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -127.78 -64.83 0.13 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.06 -130.71 3.2 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.509 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 79.0 p 43.59 31.25 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.897 0.38 . . . . 0.0 110.834 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -128.71 -78.09 0.22 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -0.52 7.04 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.699 2.266 . . . . 0.0 112.311 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 38.6 t -39.45 117.0 0.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.809 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 36.9 m -54.97 124.64 17.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.6 p -94.89 125.65 39.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.831 0.348 . . . . 0.0 110.896 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.2 t -142.86 138.96 30.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.91 164.82 25.27 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 p -90.61 162.21 15.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.882 0.373 . . . . 0.0 110.852 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.3 p -111.71 -45.5 3.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.73 142.91 4.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -171.48 151.65 3.03 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.698 0.761 . . . . 0.0 110.86 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 117.5 5.13 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.645 2.23 . . . . 0.0 112.303 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -100.91 -30.2 11.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -72.57 145.21 87.15 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.607 0.718 . . . . 0.0 110.845 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -174.64 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.8 ttp85 -73.75 -69.6 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.13 39.47 3.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.055 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.22 151.45 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.461 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 2.33 3.67 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.638 2.225 . . . . 0.0 112.35 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 18' ' ' GLU . 5.3 tp10 -80.14 -53.12 6.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 17' ' ' GLU . 26.4 tp10 -34.51 -60.78 0.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.697 HD22 ' HB3' ' A' ' 47' ' ' GLU . 5.6 mp -59.21 -49.16 78.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 47' ' ' GLU . . . -47.84 -18.61 0.74 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.458 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.6 mttp -90.07 -29.45 18.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.757 0.313 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.43 HD12 HD23 ' A' ' 48' ' ' LEU . 74.9 mt -52.49 -57.71 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.118 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.8 mt -109.38 47.91 0.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.963 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -68.9 113.15 6.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.89 36.56 9.08 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.446 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.429 HG12 ' N ' ' A' ' 27' ' ' VAL . 84.7 t -120.34 153.82 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.361 . . . . 0.0 111.091 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.429 ' N ' HG12 ' A' ' 26' ' ' VAL . 65.9 t -128.2 115.96 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.6 m -112.16 169.78 4.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.1 t -144.36 125.21 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.169 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.697 HD12 ' CE1' ' A' ' 52' ' ' TYR . 64.0 mt -82.08 117.71 22.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.2 t -127.84 134.29 49.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 67.4 42.09 90.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.541 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -120.32 151.68 38.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.782 0.325 . . . . 0.0 110.908 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -142.86 123.28 13.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.546 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 11.7 p-10 -50.8 153.84 2.72 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.64 0.733 . . . . 0.0 110.904 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 54.3 Cg_endo -69.75 -26.2 7.54 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.399 -0.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.458 ' C ' ' O ' ' A' ' 36' ' ' PRO . 15.8 t80 -34.04 -60.69 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -45.75 -53.25 9.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.0 t -58.03 -58.66 7.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -45.09 -47.81 11.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.515 HD23 HD22 ' A' ' 30' ' ' LEU . 57.0 tp -64.76 -46.5 81.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.604 ' CZ ' ' CD2' ' A' ' 52' ' ' TYR . 9.9 tpt180 -44.51 -53.7 6.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -55.99 -54.66 42.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -46.38 -49.44 17.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.654 ' HA ' HD12 ' A' ' 48' ' ' LEU . . . -62.06 -41.69 98.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.085 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.5 mt -60.9 -43.29 98.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.697 ' HB3' HD22 ' A' ' 19' ' ' LEU . 4.6 mm-40 -53.69 -48.83 69.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' A' ' 45' ' ' ALA . 4.4 mt -58.24 -23.48 56.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 99.63 26.81 8.35 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.99 151.57 20.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.834 0.349 . . . . 0.0 111.112 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.451 ' HD2' ' N ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -85.18 130.98 34.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.697 ' CE1' HD12 ' A' ' 30' ' ' LEU . 7.1 t80 -103.05 107.15 17.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.457 ' HD2' HG21 ' A' ' 57' ' ' THR . 15.5 mmt180 -105.62 140.82 21.56 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.625 0.726 . . . . 0.0 110.874 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.77 -16.7 37.63 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -149.4 162.41 40.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.478 ' CZ3' ' HB3' ' A' ' 60' ' ' SER . 55.5 t-105 -63.94 99.95 0.28 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.457 HG21 ' HD2' ' A' ' 53' ' ' ARG . 48.9 p -93.88 -179.73 5.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.12 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.07 -32.95 67.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.401 ' HB3' HG21 ' A' ' 27' ' ' VAL . 45.8 m-20 -74.34 -17.76 60.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.478 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 17.5 m -53.18 118.14 3.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.7 p -107.35 -36.68 6.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.163 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -126.41 143.05 51.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.607 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.491 HD22 ' CB ' ' A' ' 76' ' ' VAL . 15.7 tp -109.36 117.43 34.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.561 HG23 ' HA ' ' A' ' 86' ' ' LYS . 25.8 mm -87.05 89.7 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 36.0 t -94.61 138.19 32.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.69 -41.11 46.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -160.53 155.12 23.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.84 -177.88 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 63.95 33.29 12.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.59 157.49 44.16 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.584 0.707 . . . . 0.0 111.18 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -17.31 37.74 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.698 2.265 . . . . 0.0 112.333 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.5 tptp -97.17 -15.66 20.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -78.63 -44.13 24.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.9 m -76.32 -34.14 59.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -59.62 -61.3 2.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.491 ' CB ' HD22 ' A' ' 63' ' ' LEU . 39.8 t -63.98 -15.0 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.103 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.611 ' CA ' HD11 ' A' ' 83' ' ' ILE . 59.2 tp -75.82 -46.38 30.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.47 -37.32 92.58 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.467 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 76' ' ' VAL . 20.7 mt -61.62 -42.87 99.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.808 0.337 . . . . 0.0 110.891 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 111.84 37.86 1.49 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.515 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -99.84 163.84 19.54 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.511 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 17.0 ttm-85 -76.03 95.12 3.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.351 . . . . 0.0 110.848 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.611 HD11 ' CA ' ' A' ' 77' ' ' LEU . 67.2 mt -85.83 112.96 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.624 HG11 ' OG ' ' A' ' 101' ' ' SER . 30.8 m -129.88 153.97 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.403 ' HG2' ' CE ' ' A' ' 106' ' ' MET . 98.9 mtt180 -74.67 159.26 32.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.561 ' HA ' HG23 ' A' ' 64' ' ' ILE . 17.5 pttm -59.94 -39.07 84.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.549 ' HA ' HD12 ' A' ' 90' ' ' LEU . 27.7 tt0 -38.37 -41.3 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.49 ' HA ' ' CE2' ' A' ' 104' ' ' TYR . 25.0 t90 -43.94 -46.03 7.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 95.7 t -72.05 -51.68 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 87' ' ' GLU . 46.5 mt -47.11 -68.37 0.2 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.417 ' HB3' ' CD1' ' A' ' 99' ' ' LEU . 0.5 OUTLIER -51.07 -56.47 12.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 19.7 m -46.18 -41.75 13.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -71.78 -63.26 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.638 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -38.49 -57.29 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.825 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 12.5 mtm -78.28 -24.55 46.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.411 ' C ' HD11 ' A' ' 22' ' ' ILE . 64.7 mtt85 63.74 42.65 6.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -143.89 153.47 42.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.4 121.58 17.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.417 ' CD1' ' HB3' ' A' ' 91' ' ' ASP . 96.3 mt -111.7 153.02 44.49 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.638 0.733 . . . . 0.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 100.83 0.85 Allowed 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.693 2.262 . . . . 0.0 112.359 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.624 ' OG ' HG11 ' A' ' 84' ' ' VAL . 1.1 t -58.1 -27.86 64.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -40.05 -57.68 1.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -57.05 -28.18 62.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.49 ' CE2' ' HA ' ' A' ' 88' ' ' TRP . 69.9 m-85 -80.58 -32.13 36.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.532 HD23 HG12 ' A' ' 84' ' ' VAL . 68.4 mt -45.18 108.17 0.12 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.403 ' CE ' ' HG2' ' A' ' 85' ' ' ARG . 5.0 mtm -68.18 -62.69 1.29 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.426 ' HB3' HD13 ' A' ' 77' ' ' LEU . . . -114.58 1.84 14.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.13 144.21 42.56 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.462 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -1.2 8.06 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.643 2.229 . . . . 0.0 112.342 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 101.47 -164.05 17.82 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 35.9 t -97.08 -53.61 3.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.86 0.362 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.8 m 56.73 43.22 25.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.924 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 21.2 m 45.49 46.11 10.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.872 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -95.32 41.09 1.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -57.52 176.29 0.14 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.941 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 117' ' ' GLU . 11.2 t70 -134.57 140.85 46.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 116' ' ' ASP . 9.4 mm-40 -36.21 -47.86 0.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -114.25 80.64 1.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.12 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 19.8 m -60.64 -46.35 90.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.425 ' O ' ' CG ' ' A' ' 120' ' ' HIS . 42.1 p-80 -115.38 85.92 2.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.591 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.4 p -97.1 122.6 40.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.876 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -96.29 -135.22 8.31 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 66.53 86.07 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.471 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 96.3 p -165.95 166.89 17.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.967 0.413 . . . . 0.0 110.836 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -179.7 -179.26 48.76 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 124.92 11.57 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.705 2.27 . . . . 0.0 112.363 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 28.1 m -138.56 148.54 44.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 55.3 m -97.46 174.54 6.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.461 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -152.43 115.67 4.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.898 0.38 . . . . 0.0 110.857 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 t -143.93 160.44 40.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.64 -173.97 14.2 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.498 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.2 m -117.96 174.92 5.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.895 0.379 . . . . 0.0 110.818 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.7 t -152.3 122.81 7.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.462 ' O ' ' C ' ' A' ' 8' ' ' GLU . . . -98.57 51.54 1.21 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.488 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 7' ' ' GLY . 15.9 mt-10 -32.66 96.0 0.09 OUTLIER Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.618 0.723 . . . . 0.0 110.907 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.436 ' N ' ' O ' ' A' ' 7' ' ' GLY . 53.5 Cg_endo -69.83 92.43 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.664 2.243 . . . . 0.0 112.343 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -42.37 149.82 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 67.2 mtt-85 -99.43 143.91 27.31 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.555 0.693 . . . . 0.0 110.904 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -30.92 21.24 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.653 2.236 . . . . 0.0 112.321 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.426 ' HG3' ' N ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -70.5 158.16 36.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.426 ' N ' ' HG3' ' A' ' 13' ' ' ARG . . . -46.16 142.84 2.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.071 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.71 158.27 4.96 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.516 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -3.79 12.7 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.343 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -71.44 -42.28 68.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -49.46 -56.93 8.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.741 HD22 ' HB3' ' A' ' 47' ' ' GLU . 5.0 mp -71.85 -36.79 70.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.95 -9.05 9.28 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt -102.51 4.77 38.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.768 0.318 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.0 mt -89.13 -57.98 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.427 ' CD1' HD13 ' A' ' 48' ' ' LEU . 78.1 mt -110.81 41.42 1.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -64.31 129.75 41.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.85 25.45 67.05 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.464 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.414 HG12 ' N ' ' A' ' 27' ' ' VAL . 65.5 t -117.51 153.48 19.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.916 0.389 . . . . 0.0 111.094 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.414 ' N ' HG12 ' A' ' 26' ' ' VAL . 55.0 t -126.84 141.27 46.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.8 m -133.72 141.34 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.147 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.6 t -116.62 126.15 73.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.155 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.81 HD21 HD12 ' A' ' 41' ' ' LEU . 96.7 mt -84.92 132.23 34.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.0 m -151.46 133.86 15.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.59 48.55 61.79 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.521 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.474 ' CZ ' HG22 ' A' ' 64' ' ' ILE . 42.3 m-85 -127.64 155.36 44.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 0.0 110.886 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -137.23 140.53 41.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.5 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 13.8 m-80 -65.36 160.93 54.83 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.622 0.725 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.4 Cg_endo -69.75 -29.18 5.84 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.648 -1.813 . . . . 0.0 112.329 -0.104 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.719 ' CZ ' HD23 ' A' ' 41' ' ' LEU . 11.1 t80 -35.37 -52.66 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 37' ' ' PHE . 9.7 tpp85 -35.41 -50.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.2 t -67.13 -55.63 13.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -43.46 -44.27 5.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.81 HD12 HD21 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -53.8 -54.22 41.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.956 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.52 ' HD2' ' CD2' ' A' ' 52' ' ' TYR . 29.5 ttp180 -60.39 -58.55 8.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -41.28 -51.4 3.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.499 ' HG2' ' CG ' ' A' ' 93' ' ' HIS . 43.2 mttp -66.17 -39.81 90.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.91 -33.29 75.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 69.9 mt -68.5 -49.23 61.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.963 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.741 ' HB3' HD22 ' A' ' 19' ' ' LEU . 12.0 mm-40 -49.68 -49.83 45.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.427 HD13 ' CD1' ' A' ' 23' ' ' LEU . 11.7 mt -57.58 -18.46 19.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.21 13.11 43.38 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.518 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.5 141.7 28.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.368 . . . . 0.0 111.067 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -85.3 128.41 34.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.806 ' CE1' HD12 ' A' ' 30' ' ' LEU . 3.8 t80 -95.89 127.91 42.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -123.67 144.63 44.99 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.608 0.718 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -24.32 29.62 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.716 2.278 . . . . 0.0 112.301 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -147.68 170.57 17.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.592 ' CZ2' HG13 ' A' ' 76' ' ' VAL . 31.2 t-105 -59.27 139.11 57.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 52.8 p -133.87 156.59 47.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.156 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.406 ' HD3' ' C ' ' A' ' 58' ' ' ARG . 2.9 tmt_? -57.81 -29.05 64.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.71 -11.31 56.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.446 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 68.0 m -56.85 123.16 14.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 51.3 p -106.0 -41.38 5.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -128.32 152.08 48.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.624 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.622 HD22 HG21 ' A' ' 76' ' ' VAL . 11.3 tp -122.14 128.38 51.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.977 -1.011 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.474 HG22 ' CZ ' ' A' ' 33' ' ' PHE . 20.4 mm -90.82 98.01 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 23.4 t -100.49 144.53 29.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.93 -30.86 16.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.111 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -164.54 156.23 15.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.26 -175.46 1.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.113 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 61.39 32.34 19.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.1 p -109.79 157.12 38.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.612 0.72 . . . . 0.0 111.17 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -19.92 35.64 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.651 2.234 . . . . 0.0 112.355 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.0 tptp -96.19 -9.21 31.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.432 ' HD1' HG21 ' A' ' 83' ' ' ILE . 34.2 t80 -79.35 -45.7 19.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -78.27 -36.2 47.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.849 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 19.8 tp60 -55.5 -51.54 66.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.622 HG21 HD22 ' A' ' 63' ' ' LEU . 38.6 t -78.89 -14.93 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.172 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 38.8 tp -69.02 -44.07 73.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -74.98 -36.91 45.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.465 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.543 HD13 ' CD1' ' A' ' 56' ' ' TRP . 67.9 mt -54.95 -41.87 71.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.87 0.367 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 116.04 21.38 4.93 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.479 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -85.2 167.14 41.15 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.479 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -91.33 98.23 11.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.826 0.345 . . . . 0.0 110.895 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.432 HG21 ' HD1' ' A' ' 73' ' ' TYR . 33.1 mt -85.0 115.05 26.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.0 m -134.67 160.17 41.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -79.05 167.01 21.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.6 pttt -65.07 -31.99 73.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.0 -28.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 23.2 t90 -62.8 -49.2 75.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 71.4 t -70.12 -48.91 59.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.077 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 58.5 mt -47.42 -59.27 3.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -61.01 -46.47 90.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 17.4 m -52.37 -37.23 55.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.499 ' CG ' ' HG2' ' A' ' 44' ' ' LYS . 59.3 t-80 -80.43 -57.7 3.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.563 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -44.74 -39.15 4.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 32.0 mtm -102.0 -10.52 19.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.9 mtm-85 48.3 42.9 18.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.1 ptp85 -139.39 154.83 47.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -69.47 121.06 16.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.819 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 84.1 mt -111.65 144.07 29.86 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.619 0.723 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 109.2 2.26 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.35 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.6 p -64.73 -13.18 53.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -61.69 -25.6 67.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 16.2 mtt85 -86.81 -24.74 24.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -103.9 28.87 6.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 105' ' ' LEU . 12.5 mt -78.1 128.28 33.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.7 mtp -87.21 -59.17 2.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -118.47 161.93 19.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.129 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 82.87 155.71 18.96 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -45.06 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.31 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 169.43 -160.48 33.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.438 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 65.5 p -64.31 97.32 0.19 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.822 0.344 . . . . 0.0 110.857 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 33.4 m -94.07 38.92 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.9 t 53.13 48.68 21.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.844 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.1 6.72 41.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -65.86 170.22 5.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -52.78 161.87 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -92.23 -44.69 8.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -161.78 116.56 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.108 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.0 m -124.48 171.47 9.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.83 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -154.69 154.13 32.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.582 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 33.9 t -155.07 149.3 25.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 114.977 -1.011 . . . . 0.0 110.866 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -125.21 -70.71 0.2 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.439 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.06 133.58 7.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 28.2 p -128.76 127.8 42.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.906 0.384 . . . . 0.0 110.878 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 128.32 -94.56 0.38 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.458 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -38.77 7.31 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.686 2.257 . . . . 0.0 112.312 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 67.1 m -57.42 123.88 17.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.9 t -44.74 -42.61 7.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.6 m -155.79 124.13 5.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.87 0.367 . . . . 0.0 110.815 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 m -132.97 142.69 48.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.67 143.92 10.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.453 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.9 m -51.41 158.91 0.77 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.882 0.372 . . . . 0.0 110.851 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 t -144.84 147.93 33.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.74 -156.82 19.71 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.464 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -79.07 144.02 62.37 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.623 0.725 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 125.33 12.0 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.32 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.61 51.64 0.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.406 ' C ' ' HD3' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -89.68 139.22 27.87 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.618 0.723 . . . . 0.0 110.846 -179.877 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 170.28 17.01 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.668 2.246 . . . . 0.0 112.32 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.3 mtm180 -54.05 -37.32 64.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -153.69 138.48 17.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.068 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -139.71 -156.96 7.1 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.517 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 2.53 3.48 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.698 2.265 . . . . 0.0 112.337 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -76.31 -46.04 29.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -77.51 -25.86 50.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.617 HD13 HD12 ' A' ' 22' ' ' ILE . 4.3 mm? -79.53 -48.75 13.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.9 -16.37 5.85 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.458 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.07 -22.36 22.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.792 0.33 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.617 HD12 HD13 ' A' ' 19' ' ' LEU . 37.2 mt -62.94 -58.33 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.142 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.1 mt -109.37 39.96 1.96 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -60.15 124.12 19.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.85 32.27 53.93 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.462 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.5 t -116.35 150.36 18.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 111.13 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -130.52 116.97 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.3 m -110.1 140.52 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.9 t -117.65 125.42 74.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.14 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.453 HD22 HD23 ' A' ' 41' ' ' LEU . 66.3 mt -82.11 126.98 32.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 t -152.43 107.49 3.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.824 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.04 40.2 2.91 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.567 ' HZ ' HG22 ' A' ' 64' ' ' ILE . 66.3 m-85 -126.59 163.65 22.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -141.56 123.86 15.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.491 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -55.5 160.7 3.56 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 110.902 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 54.0 Cg_endo -69.75 -11.0 11.75 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.375 -0.066 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -39.17 -54.13 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 35' ' ' ASN . 37.5 mtp180 -44.12 -68.49 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.3 m -44.58 -62.59 1.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -43.57 -50.93 7.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.453 HD23 HD22 ' A' ' 30' ' ' LEU . 44.5 tp -57.69 -64.67 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.567 ' HG3' ' CD2' ' A' ' 52' ' ' TYR . 16.9 ttt180 -37.86 -54.8 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -43.69 -66.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.6 mttt -49.34 -42.04 40.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.63 -40.26 87.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.7 mt -63.78 -35.76 81.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -56.92 -51.17 70.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.553 HD23 HD12 ' A' ' 19' ' ' LEU . 12.6 mt -59.46 -11.93 5.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.34 20.09 43.02 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.479 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.31 147.19 23.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 0.0 111.133 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -91.71 128.71 37.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.567 ' CD2' ' HG3' ' A' ' 42' ' ' ARG . 0.4 OUTLIER -98.17 109.86 22.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 -105.53 142.91 25.74 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.618 0.723 . . . . 0.0 110.844 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -16.89 37.71 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.713 2.275 . . . . 0.0 112.346 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.8 p30 -148.65 163.32 37.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.623 ' CE2' HG13 ' A' ' 76' ' ' VAL . 61.6 t-105 -71.04 105.08 3.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 78.9 p -91.27 -178.52 5.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.149 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -82.42 1.0 39.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -110.78 -9.89 14.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.56 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 39.9 m -55.16 129.76 39.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.826 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 72.7 p -109.5 -32.27 7.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.116 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.568 ' CD2' ' HD2' ' A' ' 82' ' ' ARG . 3.7 m80 -138.44 144.56 40.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.581 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.527 ' HB2' ' CZ3' ' A' ' 56' ' ' TRP . 20.8 tp -114.46 122.84 47.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.999 -1.001 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.567 HG22 ' HZ ' ' A' ' 33' ' ' PHE . 23.8 mm -89.1 91.06 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 34.3 t -93.08 144.2 25.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.6 -31.46 19.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.069 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -163.2 151.05 13.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.44 -178.0 1.02 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.123 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 31.9 m-20 61.75 51.83 3.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.7 p -128.7 157.1 76.31 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.591 0.71 . . . . 0.0 111.115 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -19.18 36.41 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.654 2.236 . . . . 0.0 112.362 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.2 tptp -94.89 -32.66 13.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.588 ' CE1' HD12 ' A' ' 77' ' ' LEU . 14.0 t80 -57.03 -57.85 10.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 t -60.9 -52.46 64.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.839 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -43.3 -58.88 2.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.937 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.623 HG13 ' CE2' ' A' ' 56' ' ' TRP . 39.2 t -67.21 -15.01 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.588 HD12 ' CE1' ' A' ' 73' ' ' TYR . 3.3 tt -75.19 -47.96 25.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.95 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.64 -36.29 67.49 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.9 mt -55.39 -46.88 76.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.857 0.36 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 121.41 30.18 1.33 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.487 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -97.3 168.56 24.35 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.45 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.568 ' HD2' ' CD2' ' A' ' 62' ' ' HIS . 10.7 ttm180 -89.93 97.85 11.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.78 0.324 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.447 HD11 ' CA ' ' A' ' 77' ' ' LEU . 65.9 mt -84.87 112.86 22.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.167 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.3 m -126.19 164.81 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 25.1 mtt85 -83.55 166.64 18.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.501 ' HA ' HG23 ' A' ' 64' ' ' ILE . 20.2 pttp -65.12 -44.24 89.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.531 ' HA ' HD12 ' A' ' 90' ' ' LEU . 0.7 OUTLIER -42.25 -28.87 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 23.8 t90 -50.59 -51.26 50.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 66.7 t -68.73 -50.06 58.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 87' ' ' GLU . 34.7 mt -49.64 -59.63 3.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -59.54 -57.88 11.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 96' ' ' ARG . 15.9 m -42.0 -55.66 3.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.411 ' O ' ' N ' ' A' ' 96' ' ' ARG . 44.5 t-80 -57.5 -59.81 4.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.631 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.3 tpt85 -39.8 -59.99 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 5.5 mtm -77.56 -12.18 59.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.535 ' HD3' HD21 ' A' ' 19' ' ' LEU . 70.3 mtt-85 50.34 46.94 24.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -147.8 164.46 33.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -79.7 98.96 7.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 47.1 mt -83.61 153.87 65.03 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.646 0.736 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 100.94 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.715 2.277 . . . . 0.0 112.351 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.1 t -58.47 -31.1 67.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.639 ' HA ' HD12 ' A' ' 105' ' ' LEU . 6.2 pt20 -47.5 -31.99 4.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -73.21 -30.05 63.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -97.32 -13.88 21.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.639 HD12 ' HA ' ' A' ' 102' ' ' GLN . 22.7 mt -52.77 107.51 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 5.4 mtp -74.58 -54.59 7.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.0 166.84 0.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.125 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.11 -160.37 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.501 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 88.31 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.662 2.241 . . . . 0.0 112.377 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -99.63 -51.22 1.32 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.411 ' OG ' HD11 ' A' ' 105' ' ' LEU . 94.4 p -84.69 79.59 9.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.919 0.39 . . . . 0.0 110.891 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 113' ' ' SER . 53.9 m -71.57 80.32 0.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.878 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 112' ' ' SER . 1.9 t 37.6 40.54 0.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -107.89 80.58 1.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -83.15 124.86 30.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -47.18 151.89 0.64 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -131.4 -56.33 1.02 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 63.97 49.92 2.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.9 t -116.24 -51.13 2.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.819 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -84.65 59.14 5.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.628 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.2 m -152.33 157.12 40.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.877 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -76.6 66.61 2.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.489 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -84.08 -89.91 0.78 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 69.9 m 63.26 40.08 9.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.913 0.387 . . . . 0.0 110.854 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 97.53 -110.32 4.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 137.53 35.57 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.658 2.238 . . . . 0.0 112.334 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 97.0 p -127.22 161.75 27.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 6.1 t -102.9 -48.95 3.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.522 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -173.21 171.72 4.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.37 . . . . 0.0 110.831 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.5 p -156.69 161.96 39.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.09 135.14 1.77 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -149.15 164.58 34.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.843 0.354 . . . . 0.0 110.913 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.7 p -171.61 164.18 6.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.94 136.71 2.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.464 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.479 ' N ' ' OE1' ' A' ' 8' ' ' GLU . 7.1 pm0 -172.66 143.74 1.22 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.625 0.726 . . . . 0.0 110.904 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 114.11 3.59 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.685 2.257 . . . . 0.0 112.369 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.439 ' HG2' ' NH1' ' A' ' 13' ' ' ARG . 6.2 tmm_? -138.19 132.04 31.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -77.57 139.86 63.59 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.591 0.71 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 131.67 21.72 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.671 2.248 . . . . 0.0 112.34 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.439 ' NH1' ' HG2' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -162.26 158.92 25.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.92 176.05 6.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 152.15 -153.91 25.21 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.483 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -0.41 6.93 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.628 2.219 . . . . 0.0 112.336 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.498 ' CD ' ' C ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -80.24 -59.13 2.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -60.35 -52.05 66.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.49 HD22 ' HB3' ' A' ' 47' ' ' GLU . 5.1 mp -59.54 -37.76 79.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.61 -13.19 22.83 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.491 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -93.84 -0.46 55.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.773 0.32 . . . . 0.0 110.942 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.48 HD13 ' CA ' ' A' ' 97' ' ' ARG . 7.1 mt -83.0 -57.85 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.424 ' CD1' HD13 ' A' ' 48' ' ' LEU . 50.7 mt -110.89 43.11 1.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -68.06 120.84 14.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.0 29.17 23.78 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.452 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.5 t -122.09 147.29 26.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.84 0.352 . . . . 0.0 111.125 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.4 t -123.47 117.72 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.554 HG21 ' HB1' ' A' ' 45' ' ' ALA . 3.1 m -108.12 133.76 52.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.3 t -110.78 123.45 66.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.761 HD22 HD23 ' A' ' 41' ' ' LEU . 81.3 mt -82.99 116.68 22.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.9 t -142.66 106.24 4.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.468 ' O ' ' CB ' ' A' ' 66' ' ' ALA . . . 106.91 34.4 3.01 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.698 ' CZ ' HG22 ' A' ' 64' ' ' ILE . 66.9 m-85 -127.52 160.95 29.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 0.0 110.855 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.485 ' O ' ' CB ' ' A' ' 37' ' ' PHE . 40.3 tt0 -137.05 129.33 29.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.552 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 8.2 p30 -53.77 151.71 11.09 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.621 0.724 . . . . 0.0 110.931 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.8 Cg_endo -69.75 -15.24 12.47 Favored 'Cis proline' 0 C--N 1.341 0.146 0 C-N-CA 122.748 -1.772 . . . . 0.0 112.325 0.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.485 ' CB ' ' O ' ' A' ' 34' ' ' GLN . 2.0 t80 -36.84 -47.51 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.477 ' HG3' ' N ' ' A' ' 35' ' ' ASN . 25.8 mtt180 -51.23 -70.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.6 t -48.12 -57.21 6.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -46.68 -50.36 17.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.761 HD23 HD22 ' A' ' 30' ' ' LEU . 10.0 tp -55.78 -48.88 74.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.547 ' HD2' ' CD2' ' A' ' 52' ' ' TYR . 26.0 ttt180 -60.82 -55.36 34.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -40.12 -57.2 1.73 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.464 ' HG2' ' ND1' ' A' ' 93' ' ' HIS . 66.1 mttt -59.55 -43.42 93.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.554 ' HB1' HG21 ' A' ' 28' ' ' VAL . . . -61.32 -32.69 72.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 72.6 mt -70.74 -43.54 68.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.49 ' HB3' HD22 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -51.02 -54.0 28.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.424 HD13 ' CD1' ' A' ' 23' ' ' LEU . 20.6 mt -53.19 -23.19 7.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.75 23.77 7.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.545 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.25 150.33 22.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 111.095 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.27 143.07 26.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.547 ' CD2' ' HD2' ' A' ' 42' ' ' ARG . 5.0 t80 -108.18 114.7 28.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.0 mmp_? -103.13 143.75 27.24 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.625 0.726 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -19.51 35.99 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.639 2.226 . . . . 0.0 112.353 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -159.37 164.34 34.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.824 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.635 ' CZ2' HG13 ' A' ' 76' ' ' VAL . 67.0 t-105 -62.2 116.59 5.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.2 t -123.14 172.71 8.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.144 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -64.2 -13.86 51.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.23 -6.39 38.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.836 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.488 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 72.5 m -78.21 118.14 20.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 72.3 p -94.91 -56.3 2.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.135 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.506 ' CE1' HH21 ' A' ' 82' ' ' ARG . 1.0 OUTLIER -112.02 141.06 46.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.614 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.545 HD23 HG23 ' A' ' 83' ' ' ILE . 6.0 tp -107.55 117.89 35.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.945 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.698 HG22 ' CZ ' ' A' ' 33' ' ' PHE . 45.8 mm -81.41 91.06 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.077 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 49.6 t -89.39 127.04 35.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.628 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . . . -75.82 -30.14 58.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -166.07 148.21 7.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.55 -175.02 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 60.01 41.94 16.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -121.15 159.69 48.48 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.558 0.694 . . . . 0.0 111.145 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -32.42 18.81 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.684 2.256 . . . . 0.0 112.378 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -82.68 -28.68 30.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -62.48 -43.61 98.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 m -82.98 -10.49 58.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -79.62 -33.63 41.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.937 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.635 HG13 ' CZ2' ' A' ' 56' ' ' TRP . 39.8 t -93.59 -14.91 8.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.5 ' CA ' HD11 ' A' ' 83' ' ' ILE . 51.0 tp -70.92 -38.71 72.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -79.46 -38.82 20.13 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.456 HD13 ' NE1' ' A' ' 56' ' ' TRP . 39.3 mt -55.47 -49.06 73.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.343 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 129.88 11.15 2.67 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.484 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -81.76 165.26 45.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.494 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.506 HH21 ' CE1' ' A' ' 62' ' ' HIS . 11.4 ttp180 -90.72 113.06 25.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 0.0 110.831 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.545 HG23 HD23 ' A' ' 63' ' ' LEU . 18.6 mt -95.39 115.22 33.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 16.4 m -131.66 159.1 43.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.148 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 -75.1 177.49 6.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.7 pttm -78.83 -31.92 45.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -41.86 -30.44 0.25 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 26.1 t90 -59.39 -47.44 85.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.959 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 80.0 t -71.68 -55.76 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.105 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 77.8 mt -44.22 -55.12 5.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.49 ' HB3' HD11 ' A' ' 99' ' ' LEU . 4.4 m-20 -64.41 -45.29 88.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 3.7 m -50.1 -49.03 52.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.469 ' O ' ' N ' ' A' ' 96' ' ' ARG . 21.8 t-80 -72.56 -60.82 2.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.602 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.8 tpt85 -40.88 -38.04 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 4.4 mtm -97.88 -15.22 20.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 93' ' ' HIS . 37.3 mtt180 55.09 45.39 26.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.48 ' CA ' HD13 ' A' ' 22' ' ' ILE . 9.2 ptp180 -145.27 -179.76 6.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 59.8 ttt-85 -99.85 117.52 34.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.49 HD11 ' HB3' ' A' ' 91' ' ' ASP . 74.2 mt -107.11 149.67 38.92 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.652 0.739 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 108.24 2.04 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.682 2.254 . . . . 0.0 112.386 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.4 p -63.44 -15.94 59.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -61.95 -29.75 70.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -77.47 -29.83 52.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -96.66 22.33 8.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.2 mt -69.07 128.19 35.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.3 mmt -82.12 -59.79 2.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -114.38 159.6 20.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.051 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 132.26 145.94 5.59 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 -41.24 4.37 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.642 2.228 . . . . 0.0 112.376 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 159.86 157.19 8.48 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.479 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 43.9 p -45.52 -54.69 7.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.862 0.363 . . . . 0.0 110.866 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 12.4 t 40.65 42.64 1.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.909 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.9 m 63.6 42.82 6.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.803 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -117.71 39.48 3.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -69.11 171.97 7.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.27 122.36 20.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -93.23 -18.8 22.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -104.62 83.22 2.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.098 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.3 t -109.54 86.39 2.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 56.1 m80 -70.67 145.52 50.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.565 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.2 t -161.11 173.83 14.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.99 -1.004 . . . . 0.0 110.836 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 97.19 -58.11 1.19 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -71.47 95.37 0.6 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.479 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.5 t -69.47 -22.68 63.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.934 0.397 . . . . 0.0 110.874 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 128.1 -66.14 0.57 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.513 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 111.71 2.89 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.743 2.295 . . . . 0.0 112.304 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 58.6 m 42.45 45.69 3.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.49 -37.94 1.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.524 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.3 p -140.82 128.9 22.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.905 0.384 . . . . 0.0 110.885 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 t -156.43 147.6 22.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.825 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.91 130.11 10.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.514 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -169.26 135.32 1.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 0.0 110.827 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.3 p -135.47 171.58 14.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.15 95.98 2.38 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.453 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -133.18 146.33 60.56 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.591 0.71 . . . . 0.0 110.908 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 159.2 54.29 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.735 2.29 . . . . 0.0 112.343 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -121.43 150.53 41.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 85.4 mtt-85 -147.7 137.01 11.86 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.56 0.695 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -50.77 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.673 2.248 . . . . 0.0 112.381 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.3 tpp180 -42.25 142.54 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.59 115.63 20.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -136.69 -158.05 7.9 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.485 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 1.73 4.21 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.642 2.228 . . . . 0.0 112.287 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -91.7 -43.83 9.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.853 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -55.93 -48.9 74.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.416 ' N ' HD22 ' A' ' 19' ' ' LEU . 3.9 mm? -73.07 -43.56 61.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.941 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.96 -17.06 34.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -86.9 -3.64 59.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.76 0.314 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.408 HD12 HD23 ' A' ' 48' ' ' LEU . 49.5 mt -87.41 -56.88 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 23' ' ' LEU . 16.8 mt -105.56 38.26 2.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -62.22 113.34 2.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.17 29.51 14.7 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 27' ' ' VAL . 95.8 t -120.23 153.07 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.89 0.376 . . . . 0.0 111.108 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.419 ' N ' HG12 ' A' ' 26' ' ' VAL . 48.0 t -132.33 127.87 57.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.076 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.4 m -117.78 153.93 19.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 63.1 t -125.73 129.91 72.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.758 HD12 ' CE1' ' A' ' 52' ' ' TYR . 82.6 mt -84.09 128.67 34.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 82.5 p -147.87 126.84 12.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 73.39 42.91 39.97 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.619 ' CE1' ' HB2' ' A' ' 66' ' ' ALA . 41.3 m-85 -128.48 152.62 48.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.331 . . . . 0.0 110.881 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -139.78 142.82 36.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.941 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.507 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.4 OUTLIER -66.08 160.48 63.48 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.603 0.716 . . . . 0.0 110.911 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.8 Cg_endo -69.77 -33.43 3.42 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.385 -0.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.675 ' CZ ' HD12 ' A' ' 41' ' ' LEU . 75.4 t80 -35.37 -53.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 37' ' ' PHE . 10.0 ttt180 -36.77 -50.12 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.2 m -72.94 -36.91 67.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 37' ' ' PHE . 40.9 tt0 -54.48 -51.77 64.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.675 HD12 ' CZ ' ' A' ' 37' ' ' PHE . 1.7 tt -60.66 -60.78 3.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.624 ' HB2' HD11 ' A' ' 30' ' ' LEU . 19.3 ttt-85 -39.8 -59.12 1.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.402 ' HA ' HD12 ' A' ' 46' ' ' LEU . 38.4 t0 -47.24 -49.92 22.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -60.09 -47.93 83.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.67 -38.09 74.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.072 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 43' ' ' ASP . 71.0 mt -62.83 -45.22 93.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -48.26 -54.19 14.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.408 HD23 HD12 ' A' ' 22' ' ' ILE . 24.2 mt -50.72 -18.51 0.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 100.84 20.35 14.67 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.443 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.18 144.51 26.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 0.0 111.105 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -85.15 139.7 31.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.758 ' CE1' HD12 ' A' ' 30' ' ' LEU . 6.2 t80 -101.19 118.23 36.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -108.17 143.85 28.23 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.614 0.721 . . . . 0.0 110.843 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -11.47 30.91 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.654 2.236 . . . . 0.0 112.323 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -168.13 172.6 8.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.571 ' CE2' HG13 ' A' ' 76' ' ' VAL . 67.8 t-105 -67.08 113.05 4.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.419 ' OG1' ' N ' ' A' ' 58' ' ' ARG . 0.1 OUTLIER -117.44 169.73 9.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.159 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.419 ' N ' ' OG1' ' A' ' 57' ' ' THR . 47.8 mmm-85 -66.47 -16.44 64.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -92.46 -3.22 55.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.6 m -83.44 128.24 34.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.839 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 81.1 p -104.38 -34.56 8.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.14 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 44.4 m80 -130.26 152.72 49.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.554 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.528 HD12 ' N ' ' A' ' 64' ' ' ILE . 3.4 tp -121.07 137.46 54.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.528 ' N ' HD12 ' A' ' 63' ' ' LEU . 22.1 mm -104.38 95.78 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.0 t -100.58 131.67 46.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.619 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . . . -68.0 -33.33 74.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.103 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -166.77 160.62 14.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.66 -178.5 2.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.117 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 63.44 42.23 6.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.2 p -122.02 158.72 54.29 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.555 0.693 . . . . 0.0 111.162 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -19.29 36.0 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.689 2.259 . . . . 0.0 112.359 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -95.28 -21.34 18.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -76.12 -42.8 45.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.1 t -79.07 -22.18 45.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -73.36 -49.13 28.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.571 HG13 ' CE2' ' A' ' 56' ' ' TRP . 43.2 t -78.39 -14.85 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.56 ' CA ' HD11 ' A' ' 83' ' ' ILE . 26.4 tp -73.89 -33.38 64.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -81.31 -29.26 41.23 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.47 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 76' ' ' VAL . 41.4 mt -65.73 -47.43 75.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.824 0.345 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 122.41 17.96 3.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -82.89 169.77 48.91 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.529 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.52 ' NE ' HD21 ' A' ' 105' ' ' LEU . 3.3 tpm_? -88.47 99.24 12.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.781 0.324 . . . . 0.0 110.885 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.56 HD11 ' CA ' ' A' ' 77' ' ' LEU . 27.4 mt -87.5 120.05 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.439 HG11 ' HB2' ' A' ' 101' ' ' SER . 7.9 m -136.25 149.75 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.104 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 31.7 mtt-85 -59.2 -176.91 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.561 ' HB2' HD11 ' A' ' 41' ' ' LEU . 14.4 pttp -89.06 -9.06 52.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 88' ' ' TRP . 55.7 mm-40 -68.24 -42.83 79.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.424 ' C ' ' O ' ' A' ' 87' ' ' GLU . 34.6 t90 -36.25 -71.24 0.07 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.753 HG13 ' H ' ' A' ' 90' ' ' LEU . 1.3 p -47.51 -65.81 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.753 ' H ' HG13 ' A' ' 89' ' ' VAL . 90.5 mt -35.1 -59.4 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -52.99 -43.33 66.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 89' ' ' VAL . 71.9 m -58.57 -42.72 88.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -71.46 -38.04 71.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.546 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -59.48 -52.7 64.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 21.7 mtm -89.85 -4.09 57.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 46.77 44.61 14.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -147.19 156.47 42.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -69.51 113.16 6.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 65.1 mt -105.05 150.21 38.49 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.59 0.71 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 121.05 7.73 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.659 2.239 . . . . 0.0 112.331 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.439 ' HB2' HG11 ' A' ' 84' ' ' VAL . 92.2 p -80.16 -12.21 59.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -63.75 -28.18 69.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 66.2 mtt85 -82.26 -18.11 43.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -99.88 3.4 44.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.93 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.52 HD21 ' NE ' ' A' ' 82' ' ' ARG . 13.7 mt -50.26 131.09 23.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.5 mmt -87.43 -56.13 3.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.475 ' CB ' HD13 ' A' ' 77' ' ' LEU . . . -109.64 179.81 4.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.79 144.03 0.76 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.457 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -47.59 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.697 2.265 . . . . 0.0 112.353 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 112' ' ' SER . . . -175.63 143.25 6.53 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 89.8 p -57.43 80.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.88 0.371 . . . . 0.0 110.831 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 110' ' ' GLY . 88.7 p -112.58 -47.76 3.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.841 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 58.6 m -41.01 -54.32 2.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.899 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -120.05 90.15 3.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.854 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -78.51 148.13 33.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -94.82 152.6 18.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -79.83 -33.66 40.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.544 ' HB1' ' CE1' ' A' ' 120' ' ' HIS . . . -172.85 137.85 0.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 63.1 p -49.93 -20.5 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.544 ' CE1' ' HB1' ' A' ' 118' ' ' ALA . 46.5 p-80 -102.89 100.26 10.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.617 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 40.7 t -66.54 90.11 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.837 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -124.17 128.08 6.69 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -170.2 -55.52 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.432 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 12.4 m -64.67 -57.76 8.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.922 0.391 . . . . 0.0 110.902 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 157.73 -160.66 30.85 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.529 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 135.93 31.58 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.663 2.242 . . . . 0.0 112.33 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 42.0 p -135.88 126.27 26.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 6.2 t -108.86 148.27 30.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.469 179.976 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 p -156.93 138.49 14.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.874 0.369 . . . . 0.0 110.846 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.6 p -139.37 169.46 17.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.34 83.5 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 t -166.48 119.11 1.03 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.872 0.368 . . . . 0.0 110.88 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.9 p -136.76 144.77 43.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.53 108.91 0.93 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.451 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -124.69 146.69 53.59 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.65 0.738 . . . . 0.0 110.843 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 82.83 0.72 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.699 2.266 . . . . 0.0 112.39 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.9 ttt85 -91.76 27.83 1.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.471 ' CG ' ' HD2' ' A' ' 12' ' ' PRO . 46.4 ttm-85 -51.75 139.57 30.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.608 0.718 . . . . 0.0 110.893 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.471 ' HD2' ' CG ' ' A' ' 11' ' ' ARG . 53.4 Cg_endo -69.79 -50.74 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.709 2.272 . . . . 0.0 112.318 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -97.34 129.89 44.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.49 150.31 48.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -133.86 -158.52 8.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.55 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 2.19 3.74 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.667 2.245 . . . . 0.0 112.338 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -82.43 -54.2 5.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -53.01 -34.44 56.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.704 HD22 ' HB3' ' A' ' 47' ' ' GLU . 7.1 mp -81.89 -30.98 31.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.04 -7.75 14.15 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm -103.37 5.24 37.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.789 0.328 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.1 mt -90.79 -58.46 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 28.5 mt -107.95 43.55 1.2 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.7 tp60 -70.34 113.26 7.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.08 26.11 13.12 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.0 t -117.47 147.69 20.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.914 0.388 . . . . 0.0 111.112 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.647 HG11 ' OD1' ' A' ' 59' ' ' ASP . 90.9 t -124.54 108.34 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.4 m -103.23 153.3 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.4 t -130.44 127.67 62.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.645 HD22 HD23 ' A' ' 41' ' ' LEU . 57.3 mt -82.13 126.48 32.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.959 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 69.6 p -151.42 124.64 8.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.12 28.26 18.37 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.493 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -121.66 161.74 21.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.766 0.317 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -135.72 121.28 19.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.522 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 1.3 p-10 -50.62 154.16 2.44 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.573 0.702 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.4 Cg_endo -69.85 -15.01 12.69 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.355 -0.02 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 36' ' ' PRO . 3.5 t80 -36.08 -63.37 0.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.45 ' CG ' ' N ' ' A' ' 39' ' ' SER . 16.8 ptt180 -45.0 -45.26 10.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.45 ' N ' ' CG ' ' A' ' 38' ' ' ARG . 1.8 t -61.3 -57.52 12.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -52.24 -55.68 19.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.645 HD23 HD22 ' A' ' 30' ' ' LEU . 37.8 tp -50.11 -37.11 32.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.439 ' HB2' HD11 ' A' ' 30' ' ' LEU . 21.3 ttm180 -68.61 -49.58 58.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -46.69 -48.02 20.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -67.18 -43.23 82.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.11 -32.04 53.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 26.4 mt -76.28 -45.99 29.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.704 ' HB3' HD22 ' A' ' 19' ' ' LEU . 1.4 mp0 -48.64 -40.56 28.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.0 mt -67.78 -24.52 65.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.99 15.02 17.43 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.53 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.24 151.57 20.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 111.106 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.3 mttp -89.84 142.61 27.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.926 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -110.3 119.92 40.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.606 ' HD3' HG21 ' A' ' 57' ' ' THR . 4.1 mmp_? -117.94 144.05 33.86 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.624 0.726 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -25.82 28.21 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.658 2.239 . . . . 0.0 112.337 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.407 ' CG ' ' N ' ' A' ' 56' ' ' TRP . 3.2 t70 -144.79 163.04 35.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.856 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.546 ' CZ3' ' HB3' ' A' ' 60' ' ' SER . 69.0 t-105 -54.54 109.96 0.57 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.606 HG21 ' HD3' ' A' ' 53' ' ' ARG . 69.2 p -97.67 160.58 14.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.143 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.7 tpt85 -65.62 -18.89 65.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.647 ' OD1' HG11 ' A' ' 27' ' ' VAL . 2.0 p30 -93.84 -2.05 54.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.546 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 67.1 m -60.96 122.15 14.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.458 ' HB ' ' CE1' ' A' ' 62' ' ' HIS . 33.2 p -104.45 -31.4 9.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.458 ' CE1' ' HB ' ' A' ' 61' ' ' THR . 3.7 m80 -144.14 136.05 26.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.591 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.63 HD22 HG21 ' A' ' 76' ' ' VAL . 11.5 tp -104.4 130.45 52.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.949 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.6 mm -96.77 91.38 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 22.7 t -90.26 158.98 16.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.95 -38.07 8.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.13 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -157.38 145.51 19.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.64 -179.47 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 63.54 35.17 12.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.37 158.98 34.66 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.597 0.713 . . . . 0.0 111.147 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -31.21 20.96 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.663 2.242 . . . . 0.0 112.331 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -82.86 -26.24 31.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.582 ' CD1' HG21 ' A' ' 83' ' ' ILE . 75.4 t80 -63.19 -58.58 6.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 27.5 t -59.66 -34.54 72.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.835 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -56.91 -52.24 65.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.63 HG21 HD22 ' A' ' 63' ' ' LEU . 40.2 t -77.19 -14.98 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.176 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.523 HD12 ' CE2' ' A' ' 73' ' ' TYR . 1.5 tt -70.99 -52.49 19.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.939 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.38 -37.89 80.1 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.516 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 32.1 mt -56.4 -51.07 69.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 0.0 110.936 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 129.37 12.25 2.58 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.498 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -74.95 160.97 53.14 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -89.18 99.07 12.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.739 0.304 . . . . 0.0 110.9 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.582 HG21 ' CD1' ' A' ' 73' ' ' TYR . 11.1 mt -87.0 123.67 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.4 m -139.42 172.01 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.446 ' CZ ' ' HB3' ' A' ' 85' ' ' ARG . 2.7 mmm180 -75.15 175.74 7.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -84.27 -32.03 24.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -44.55 -30.7 0.94 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.445 ' CE2' ' OG ' ' A' ' 101' ' ' SER . 24.0 t90 -49.08 -58.65 4.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 42.7 t -62.05 -57.68 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 33.1 mt -45.21 -69.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -50.19 -43.72 52.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 2.3 m -55.06 -44.43 74.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 96' ' ' ARG . 47.6 t-80 -74.45 -62.11 1.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.602 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -40.62 -35.39 0.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 7.4 mtm -101.93 -15.74 16.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 93' ' ' HIS . 13.0 mtm-85 55.64 44.28 26.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -139.72 170.05 16.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 25.9 ttt-85 -94.31 103.52 15.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 43.9 mt -90.69 148.26 38.11 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.605 0.717 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 104.78 1.37 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.693 2.262 . . . . 0.0 112.343 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.445 ' OG ' ' CE2' ' A' ' 88' ' ' TRP . 60.0 m -64.16 -15.41 59.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -66.51 -11.48 52.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -94.86 -15.11 23.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -107.0 0.8 23.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 23.2 mt -49.21 114.84 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 28.5 mtp -85.09 -52.31 6.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -82.57 166.81 18.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.062 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 65.85 147.55 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -26.14 27.95 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.699 2.266 . . . . 0.0 112.361 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 160.38 111.08 0.28 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.476 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.4 m -80.3 87.57 5.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.369 . . . . 0.0 110.84 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.7 m -103.93 78.05 1.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.877 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 57.4 m 61.66 39.99 13.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.848 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -115.0 93.26 4.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -101.75 167.98 9.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -119.23 151.63 38.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -72.72 -44.47 61.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -171.66 117.08 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 56.8 m -68.51 135.33 51.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -105.95 102.75 12.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.595 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 69.5 p -80.39 -52.19 7.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.892 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 108.64 -101.26 1.52 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -95.97 177.97 34.4 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.54 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.4 m -158.83 177.18 11.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.906 0.384 . . . . 0.0 110.893 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 85.8 146.67 9.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.482 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 109.63 2.36 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.634 2.222 . . . . 0.0 112.341 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 45.7 t -135.86 134.21 38.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.822 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 14.7 m 39.34 42.19 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 -179.973 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 t -39.96 -60.53 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.861 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m 61.57 41.58 12.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.845 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.35 101.36 0.6 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.0 m -107.65 156.63 18.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.892 0.377 . . . . 0.0 110.844 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -124.67 129.4 50.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.95 -128.8 2.97 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -143.71 148.83 44.52 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.627 0.727 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -174.41 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.69 2.26 . . . . 0.0 112.336 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.6 ttt-85 66.66 40.16 3.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -136.28 151.68 73.75 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.623 0.725 . . . . 0.0 110.833 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -26.07 27.77 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.655 2.237 . . . . 0.0 112.384 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -75.03 142.81 43.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -110.06 39.26 2.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.64 146.29 0.91 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -0.55 7.1 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.682 2.254 . . . . 0.0 112.333 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.514 ' CD ' ' N ' ' A' ' 18' ' ' GLU . 0.2 OUTLIER -62.9 -65.96 0.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.514 ' N ' ' CD ' ' A' ' 17' ' ' GLU . 3.7 tp10 -53.44 -50.26 65.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.526 HD13 ' CD1' ' A' ' 22' ' ' ILE . 4.6 mm? -59.7 -46.94 87.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.55 -14.92 51.92 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.506 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -92.83 8.97 37.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.756 0.312 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.526 ' CD1' HD13 ' A' ' 19' ' ' LEU . 46.8 mt -91.59 -56.91 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.0 mt -108.07 34.37 3.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -60.4 110.86 1.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.941 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.48 23.9 15.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.511 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 27' ' ' VAL . 57.7 t -119.49 152.85 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.37 . . . . 0.0 111.133 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.483 HG22 ' HE2' ' A' ' 51' ' ' LYS . 14.3 t -130.97 127.3 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.1 m -118.91 165.23 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 75.2 t -138.51 136.74 43.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.537 HD11 ' HB2' ' A' ' 42' ' ' ARG . 95.0 mt -88.98 117.41 27.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.3 t -131.2 108.41 9.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.82 49.75 3.5 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.493 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.653 ' CZ ' ' CD2' ' A' ' 41' ' ' LEU . 58.8 m-85 -129.17 156.55 43.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.77 0.319 . . . . 0.0 110.892 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -142.37 134.69 27.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.537 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 1.2 p30 -62.08 154.18 70.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.621 0.724 . . . . 0.0 110.855 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 54.3 Cg_endo -69.75 -29.42 5.71 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.733 -1.778 . . . . 0.0 112.346 -0.096 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.44 ' C ' ' O ' ' A' ' 36' ' ' PRO . 9.2 t80 -35.27 -58.41 0.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.5 ttt85 -42.45 -49.51 5.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.6 t -67.26 -60.48 2.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.819 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -43.44 -39.68 3.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.653 ' CD2' ' CZ ' ' A' ' 33' ' ' PHE . 33.8 tp -67.62 -53.24 29.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.537 ' HB2' HD11 ' A' ' 30' ' ' LEU . 24.6 ttt-85 -49.3 -48.64 46.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -49.33 -62.59 1.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.824 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -44.87 -48.77 11.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.408 ' HA ' HD12 ' A' ' 48' ' ' LEU . . . -54.93 -44.52 74.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.122 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 31.9 mt -64.79 -43.65 92.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.46 -44.94 73.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 45' ' ' ALA . 14.4 mt -60.39 -23.37 64.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.94 19.01 9.92 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.28 153.02 18.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.896 0.379 . . . . 0.0 111.101 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.483 ' HE2' HG22 ' A' ' 27' ' ' VAL . 3.1 mppt? -93.17 139.12 30.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -103.49 112.37 25.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.83 ' NH1' HG21 ' A' ' 57' ' ' THR . 18.2 mmt85 -104.3 145.21 30.23 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.597 0.713 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -33.13 17.16 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.351 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -137.44 163.57 30.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.687 ' CE2' HG13 ' A' ' 76' ' ' VAL . 76.1 t-105 -64.99 79.48 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.83 HG21 ' NH1' ' A' ' 53' ' ' ARG . 3.9 t -83.34 158.76 22.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.112 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -54.31 -22.23 11.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -79.41 -23.38 43.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 m -71.14 127.36 32.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 82.8 p -103.45 -47.18 4.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.148 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -109.82 149.98 29.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.588 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.566 ' HB2' ' CZ3' ' A' ' 56' ' ' TRP . 13.9 tp -120.17 116.15 25.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.7 mm -84.38 96.72 4.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 23.8 t -99.16 111.62 23.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.03 -42.25 60.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.088 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -157.61 147.39 20.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.28 -178.6 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.0 m120 69.01 32.68 3.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.7 p -112.14 156.28 42.18 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.594 0.711 . . . . 0.0 111.168 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -17.56 37.87 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.712 2.274 . . . . 0.0 112.377 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.2 mmtm -95.12 -23.25 17.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -72.78 -41.04 65.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.7 t -79.91 -18.35 50.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -79.4 -51.67 9.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.687 HG13 ' CE2' ' A' ' 56' ' ' TRP . 39.3 t -72.48 -14.96 17.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.412 HD13 ' HB3' ' A' ' 107' ' ' ALA . 33.6 tp -71.43 -43.57 66.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -74.32 -36.15 50.89 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.498 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 76' ' ' VAL . 17.9 mt -60.62 -41.5 94.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.812 0.339 . . . . 0.0 110.924 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 116.93 35.49 1.13 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -97.77 160.71 21.02 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.451 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.48 ' NE ' ' HA ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -84.71 99.06 10.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.778 0.323 . . . . 0.0 110.877 -179.864 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.634 HG22 ' SD ' ' A' ' 106' ' ' MET . 47.2 mt -89.36 110.7 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.155 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.434 HG12 ' O ' ' A' ' 104' ' ' TYR . 8.1 m -127.67 152.48 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.472 ' HG3' ' CG ' ' A' ' 106' ' ' MET . 18.1 mtt-85 -73.44 150.73 41.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.3 pttm -50.67 -26.61 5.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -46.52 -44.56 17.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 32.6 t90 -46.9 -47.4 21.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 86.3 t -69.22 -58.9 4.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.7 mt -44.0 -47.28 8.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -67.13 -51.57 52.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 44.8 m -47.07 -51.67 17.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -66.67 -52.14 48.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.571 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.472 ' CZ ' ' CG ' ' A' ' 95' ' ' MET . 3.9 tmm_? -42.91 -57.92 2.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.472 ' CG ' ' CZ ' ' A' ' 94' ' ' ARG . 8.2 mtm -83.23 -11.59 57.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 27.7 mtm-85 55.6 44.59 26.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -149.84 155.67 40.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -69.45 123.49 21.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 62.3 mt -112.99 150.24 42.57 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.641 0.734 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 111.7 2.88 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.635 2.223 . . . . 0.0 112.397 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 80.4 p -61.81 -28.72 69.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -50.35 -34.1 22.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 -76.41 -24.87 54.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.434 ' O ' HG12 ' A' ' 84' ' ' VAL . 33.8 m-85 -107.5 32.73 4.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.8 mt -82.01 126.97 32.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.634 ' SD ' HG22 ' A' ' 83' ' ' ILE . 19.2 mtp -81.85 -53.88 5.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.412 ' HB3' HD13 ' A' ' 77' ' ' LEU . . . -137.95 136.88 37.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.055 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 135.89 154.81 7.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -7.24 20.55 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.673 2.249 . . . . 0.0 112.357 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 132.75 -128.32 5.11 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.459 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 42.9 p -138.61 119.44 14.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.859 0.361 . . . . 0.0 110.884 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -106.11 -53.0 2.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.0 t -118.61 50.7 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -83.92 35.01 0.51 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -122.86 171.35 9.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.28 114.25 26.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.846 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 118' ' ' ALA . 11.1 pt-20 -84.43 -43.4 14.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.455 ' N ' ' HG3' ' A' ' 117' ' ' GLU . . . -169.87 110.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.057 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.0 t -90.89 148.78 22.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -112.54 179.94 3.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.644 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 26.8 t -103.96 103.09 12.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.85 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -68.43 -84.35 0.13 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 124.95 45.52 0.25 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.512 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 42.7 p -48.27 -54.14 14.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.917 0.389 . . . . 0.0 110.879 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 124.92 146.27 6.79 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.478 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 103.24 1.14 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.337 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.7 t -91.65 53.81 2.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.8 m 49.96 44.43 25.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.467 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.0 p -113.15 144.2 43.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.907 0.384 . . . . 0.0 110.84 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m -108.02 100.93 10.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.56 127.61 7.94 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.514 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.5 p -152.62 161.73 42.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.897 0.379 . . . . 0.0 110.829 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.9 m -95.83 -54.59 3.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.75 77.71 0.18 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.481 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -117.22 89.54 31.17 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.615 0.722 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 154.98 67.19 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.711 2.274 . . . . 0.0 112.348 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 57.6 mtm180 -93.59 104.9 16.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.835 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.479 ' CG ' ' HD2' ' A' ' 12' ' ' PRO . 23.4 ttm-85 -154.11 139.56 12.08 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.645 0.736 . . . . 0.0 110.869 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.479 ' HD2' ' CG ' ' A' ' 11' ' ' ARG . 53.8 Cg_endo -69.77 -15.23 36.97 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.717 2.278 . . . . 0.0 112.33 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -81.43 158.56 24.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.17 35.1 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.53 146.11 0.33 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.509 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -0.84 7.44 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.69 2.26 . . . . 0.0 112.394 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 20' ' ' GLY . 16.0 tt0 -93.0 -61.0 1.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 17' ' ' GLU . 14.4 mm-40 -34.64 -38.88 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.67 HD13 HD12 ' A' ' 22' ' ' ILE . 4.4 mm? -84.17 -41.85 16.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 17' ' ' GLU . . . -57.82 -19.01 34.71 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.513 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -89.66 4.77 48.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.748 0.309 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.67 HD12 HD13 ' A' ' 19' ' ' LEU . 54.2 mt -93.39 -58.09 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.142 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.2 mt -110.88 41.94 1.71 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.954 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -68.08 105.02 1.92 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.956 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.6 29.89 5.15 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 99.8 t -125.48 147.85 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.891 0.377 . . . . 0.0 111.116 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.899 HG22 ' HB3' ' A' ' 51' ' ' LYS . 96.6 t -128.61 115.09 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.478 ' CG1' HD11 ' A' ' 64' ' ' ILE . 16.5 m -103.59 163.99 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.7 t -139.54 131.47 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.646 HD22 HD23 ' A' ' 41' ' ' LEU . 66.5 mt -87.33 117.37 26.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.1 t -143.06 112.38 6.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.85 34.86 6.05 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.424 ' CE1' ' HB2' ' A' ' 66' ' ' ALA . 28.8 m-85 -126.53 153.52 45.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.341 . . . . 0.0 110.863 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -119.02 151.52 38.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.493 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.4 OUTLIER -88.75 162.85 37.45 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.595 0.712 . . . . 0.0 110.903 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.513 ' O ' ' C ' ' A' ' 37' ' ' PHE . 53.4 Cg_endo -69.76 -26.62 7.29 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.307 -0.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.513 ' C ' ' O ' ' A' ' 36' ' ' PRO . 7.5 t80 -29.17 -50.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 -49.15 -59.46 3.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.7 p -55.47 -37.6 67.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -61.98 -43.05 99.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.895 HD11 HG11 ' A' ' 89' ' ' VAL . 15.7 tp -60.86 -51.16 70.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -47.08 -51.74 16.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -49.36 -54.21 18.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 54.4 mttt -56.13 -42.75 77.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.496 ' HB2' HG21 ' A' ' 89' ' ' VAL . . . -65.41 -35.83 82.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 87.9 mt -66.18 -45.83 79.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.448 ' C ' ' HB3' ' A' ' 19' ' ' LEU . 3.4 mm-40 -49.59 -54.18 19.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.931 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 45' ' ' ALA . 5.7 mt -53.19 -15.26 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 97.27 12.88 47.28 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.495 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.76 157.14 24.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 111.107 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.899 ' HB3' HG22 ' A' ' 27' ' ' VAL . 13.8 tppt? -91.1 155.3 18.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.452 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 6.6 t80 -122.36 117.07 25.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -120.03 143.29 35.08 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.644 0.735 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -23.2 31.2 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.742 2.294 . . . . 0.0 112.35 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -150.35 158.29 43.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.639 ' CE2' HG13 ' A' ' 76' ' ' VAL . 67.5 t-105 -60.65 120.49 10.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.434 HG23 ' H ' ' A' ' 59' ' ' ASP . 5.0 t -125.68 179.63 5.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.422 ' N ' ' OG1' ' A' ' 57' ' ' THR . 37.5 ttt85 -65.81 -15.48 62.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.434 ' H ' HG23 ' A' ' 57' ' ' THR . 9.5 t0 -91.56 -16.73 26.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.548 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 3.4 m -71.03 120.51 16.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 80.7 p -101.62 -39.08 7.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 28.3 m80 -129.81 140.92 50.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.613 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.766 HD22 HG21 ' A' ' 76' ' ' VAL . 10.6 tp -107.79 120.91 43.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.515 HG21 HD21 ' A' ' 41' ' ' LEU . 9.3 mm -81.29 90.37 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 43.3 t -94.81 161.18 14.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.424 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . . . -101.05 -38.03 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -160.67 153.9 21.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.86 -177.42 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.074 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 59.79 41.84 17.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.1 p -118.26 158.64 46.04 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.586 0.708 . . . . 0.0 111.124 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -29.66 23.55 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.658 2.239 . . . . 0.0 112.34 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.424 ' O ' HG23 ' A' ' 76' ' ' VAL . 24.8 tptt -86.02 -28.21 24.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.719 ' CD2' HG21 ' A' ' 83' ' ' ILE . 16.3 t80 -61.4 -58.87 6.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.3 t -56.96 -50.04 73.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -47.89 -64.5 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.766 HG21 HD22 ' A' ' 63' ' ' LEU . 40.1 t -59.63 -14.92 7.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.619 HD12 ' CE1' ' A' ' 73' ' ' TYR . 3.7 tt -76.51 -56.82 4.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -66.34 -35.32 90.06 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.523 HD13 ' CD1' ' A' ' 56' ' ' TRP . 25.9 mt -55.93 -39.21 71.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.822 0.344 . . . . 0.0 110.897 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 115.94 36.21 1.17 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -109.86 172.37 15.79 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.464 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 13.7 ttm-85 -98.06 101.23 12.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 0.0 110.884 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.719 HG21 ' CD2' ' A' ' 73' ' ' TYR . 21.6 mt -82.61 114.21 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.846 HG12 ' HA ' ' A' ' 105' ' ' LEU . 12.5 m -125.19 168.09 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.447 ' HD2' ' CG ' ' A' ' 106' ' ' MET . 0.4 OUTLIER -81.8 175.63 10.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.435 ' HD2' HD11 ' A' ' 90' ' ' LEU . 16.9 pttp -80.5 -12.45 59.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -70.25 -34.3 72.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 46.0 t90 -49.55 -70.93 0.07 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.895 HG11 HD11 ' A' ' 41' ' ' LEU . 9.3 p -58.11 -50.46 78.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.157 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.63 ' N ' HG13 ' A' ' 89' ' ' VAL . 56.6 mt -47.7 -42.73 25.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -73.83 -56.71 4.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.835 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 13.8 m -38.29 -41.27 0.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -73.52 -57.02 4.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.621 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -42.45 -53.26 4.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 6.7 mtt -83.66 -19.58 35.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 33.1 mtm180 61.54 42.35 11.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 97' ' ' ARG . 3.0 ptp180 -142.13 165.11 28.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -85.12 120.33 26.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 46.3 mt -112.18 152.35 44.34 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.632 0.73 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 99.23 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.705 2.27 . . . . 0.0 112.337 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 105' ' ' LEU . 20.2 p -49.94 -29.63 8.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.778 ' HA ' HD23 ' A' ' 105' ' ' LEU . 15.1 tm0? -52.91 -43.06 65.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 40.0 mtp180 -72.81 -7.53 51.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -120.78 -4.9 9.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.846 ' HA ' HG12 ' A' ' 84' ' ' VAL . 0.3 OUTLIER -89.11 126.47 35.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.447 ' CG ' ' HD2' ' A' ' 85' ' ' ARG . 23.3 mtm -75.22 -58.37 3.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.553 ' O ' HD13 ' A' ' 105' ' ' LEU . . . -121.92 162.28 21.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.121 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 154.86 168.4 18.08 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.473 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -26.25 27.83 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.712 2.275 . . . . 0.0 112.387 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.11 128.7 3.27 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.5 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.1 m -88.07 39.29 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.913 0.387 . . . . 0.0 110.85 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.3 m -75.4 -56.7 4.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.828 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 77.3 p -97.22 51.21 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -86.0 39.53 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -78.68 179.65 7.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.82 120.93 42.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -85.47 -45.3 11.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -103.08 98.54 8.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.13 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.3 t -93.78 40.76 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -143.33 168.56 19.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.618 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 21.6 t -74.55 85.7 2.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.856 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -102.35 -149.99 22.46 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.466 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 150.83 166.6 13.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.503 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 57.9 p -97.54 80.29 2.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.37 . . . . 0.0 110.846 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -71.74 -159.06 3.73 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 137.34 35.25 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.668 2.246 . . . . 0.0 112.367 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.0 m -122.58 138.36 54.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.818 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 20.5 p -103.97 -60.11 1.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.844 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.479 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.0 m -112.27 106.8 15.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.875 0.369 . . . . 0.0 110.839 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.3 t -127.77 117.44 21.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.02 89.51 1.72 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.462 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 m -74.24 163.4 27.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.889 0.376 . . . . 0.0 110.825 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.0 p -131.09 104.71 7.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.846 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.85 -171.25 43.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -119.91 80.11 25.36 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.588 0.709 . . . . 0.0 110.865 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 4.88 1.93 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.689 2.26 . . . . 0.0 112.349 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.7 ttt-85 -67.9 138.77 56.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -140.04 145.13 40.86 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.615 0.721 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -21.18 34.01 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.331 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -66.59 122.53 17.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.1 -176.49 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.062 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 155.1 -158.17 28.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 2.2 3.71 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.691 2.26 . . . . 0.0 112.378 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -94.88 -52.11 4.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -56.85 -33.35 66.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.775 HD12 HD23 ' A' ' 48' ' ' LEU . 4.4 mm? -75.89 -43.21 46.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.65 -20.8 53.29 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -84.17 0.85 47.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.776 0.322 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.544 HD12 HD13 ' A' ' 19' ' ' LEU . 59.1 mt -88.56 -57.31 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.7 mt -111.28 42.92 1.57 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.6 tp60 -63.76 118.15 7.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.62 34.44 16.15 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.532 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.6 t -123.65 147.33 28.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.348 . . . . 0.0 111.14 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.0 t -124.62 118.79 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.589 HG21 ' HB1' ' A' ' 45' ' ' ALA . 4.3 m -108.61 139.63 30.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.5 t -116.14 123.27 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.107 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.488 HD22 HD23 ' A' ' 41' ' ' LEU . 84.4 mt -83.33 129.6 35.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.2 m -153.7 105.7 2.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.48 33.24 3.42 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.539 ' CZ ' ' CD2' ' A' ' 41' ' ' LEU . 72.4 m-85 -123.0 154.76 38.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.796 0.331 . . . . 0.0 110.851 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -136.77 121.01 17.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.949 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.539 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 1.4 p-10 -50.75 154.23 2.49 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.659 0.743 . . . . 0.0 110.847 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.9 Cg_endo -69.75 -25.35 8.07 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.328 -0.095 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 36' ' ' PRO . 20.7 t80 -37.97 -53.44 1.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.3 ttt85 -50.05 -61.38 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.9 p -54.35 -56.7 15.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -46.99 -38.55 10.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.539 ' CD2' ' CZ ' ' A' ' 33' ' ' PHE . 34.4 tp -66.59 -44.98 80.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -53.07 -60.9 2.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.598 ' HA ' HD12 ' A' ' 46' ' ' LEU . 2.7 t70 -40.89 -58.0 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -50.19 -46.6 54.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.937 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.589 ' HB1' HG21 ' A' ' 28' ' ' VAL . . . -60.14 -33.35 72.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.121 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.598 HD12 ' HA ' ' A' ' 43' ' ' ASP . 45.4 mt -68.84 -45.15 71.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.422 ' C ' ' HB3' ' A' ' 19' ' ' LEU . 6.1 mm-40 -50.66 -53.8 28.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.775 HD23 HD12 ' A' ' 19' ' ' LEU . 28.9 mt -53.64 -18.49 3.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.65 19.35 22.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.507 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.5 143.17 27.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.87 0.367 . . . . 0.0 111.123 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.87 133.24 33.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.403 ' CE1' HD12 ' A' ' 30' ' ' LEU . 3.7 t80 -99.51 115.75 30.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -108.44 143.97 28.56 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.621 0.724 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -22.43 31.97 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.694 2.263 . . . . 0.0 112.332 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -153.47 158.81 41.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.503 ' CZ2' HG13 ' A' ' 76' ' ' VAL . 64.2 t-105 -60.32 131.47 50.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.6 t -137.08 172.69 12.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 -65.24 -11.03 36.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -96.06 -14.22 23.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.2 m -72.78 131.58 42.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 38.1 p -107.29 -45.85 4.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.18 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.417 ' CD2' ' HG2' ' A' ' 82' ' ' ARG . 38.7 m80 -120.89 165.22 15.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.608 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.606 HD23 HG23 ' A' ' 83' ' ' ILE . 7.2 tp -131.23 129.62 41.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.96 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 22.1 mm -96.55 90.87 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 34.2 t -93.28 140.87 29.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.83 -35.35 32.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -162.0 155.06 20.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.36 -179.34 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 65.15 33.91 9.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.94 158.51 33.35 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.624 0.726 . . . . 0.0 111.129 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -24.59 29.59 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.662 2.241 . . . . 0.0 112.35 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -90.06 -21.94 22.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -67.81 -39.22 83.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.5 m -82.96 -11.82 57.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 16.5 tp60 -85.16 -50.1 7.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.503 HG13 ' CZ2' ' A' ' 56' ' ' TRP . 40.1 t -75.6 -14.96 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.524 ' CA ' HD11 ' A' ' 83' ' ' ILE . 50.5 tp -72.82 -49.93 27.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.9 -41.05 95.65 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.409 HD13 ' CD1' ' A' ' 56' ' ' TRP . 23.0 mt -55.65 -47.62 76.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.825 0.345 . . . . 0.0 110.914 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 120.74 24.48 2.56 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.457 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -88.96 159.11 28.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.459 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.793 ' HD2' HD21 ' A' ' 105' ' ' LEU . 21.2 tpp180 -79.52 100.07 7.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.788 0.327 . . . . 0.0 110.889 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.606 HG23 HD23 ' A' ' 63' ' ' LEU . 23.0 mt -88.34 114.21 26.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.116 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 11.7 m -130.25 162.76 37.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.112 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -76.99 -176.57 4.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -83.01 -35.59 25.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -43.48 -24.39 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.449 ' CE2' ' HB3' ' A' ' 101' ' ' SER . 23.5 t90 -60.82 -53.22 60.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 82.1 t -66.17 -54.46 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.157 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 48.2 mt -47.49 -55.85 8.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -58.39 -45.7 87.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.483 ' O ' ' N ' ' A' ' 96' ' ' ARG . 9.6 m -54.95 -60.15 3.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -56.49 -53.68 54.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.614 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -44.53 -59.09 2.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.402 ' CB ' ' HG2' ' A' ' 97' ' ' ARG . 26.4 mtm -83.44 -1.7 54.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 92' ' ' CYS . 90.6 mtt180 44.62 44.81 7.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.402 ' HG2' ' CB ' ' A' ' 95' ' ' MET . 13.8 ptp180 -141.53 157.52 45.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 43.3 ttt85 -79.78 107.27 12.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 50.5 mt -97.1 151.57 37.79 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.654 0.74 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 107.99 1.98 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.681 2.254 . . . . 0.0 112.342 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.449 ' HB3' ' CE2' ' A' ' 88' ' ' TRP . 70.4 p -67.98 -10.49 53.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -69.94 -28.14 65.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -81.08 -2.82 49.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -119.76 21.04 12.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.793 HD21 ' HD2' ' A' ' 82' ' ' ARG . 24.6 mt -71.27 132.74 45.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.949 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.3 mtt -89.66 -55.85 3.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.444 ' HB3' HD13 ' A' ' 77' ' ' LEU . . . -128.13 4.91 5.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.121 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.551 ' HA3' HD22 ' A' ' 105' ' ' LEU . . . -78.5 146.19 29.89 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 110' ' ' GLY . 53.6 Cg_endo -69.73 -24.76 29.44 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.689 2.259 . . . . 0.0 112.357 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.524 ' HA3' HD11 ' A' ' 105' ' ' LEU . . . -34.66 131.14 0.54 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.9 m -141.15 -179.48 6.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.901 0.381 . . . . 0.0 110.864 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 113' ' ' SER . 22.6 t -40.8 104.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 112' ' ' SER . 46.9 m 34.56 38.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -105.18 35.46 2.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -140.59 175.78 9.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -92.71 15.85 13.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 118' ' ' ALA . 13.4 tt0 -49.22 -17.76 0.27 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 117' ' ' GLU . . . -35.15 -37.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 25.0 m -77.06 113.33 14.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.837 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.431 ' CD2' ' H ' ' A' ' 120' ' ' HIS . 5.4 p80 -91.26 -59.12 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.531 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.0 t -155.48 172.98 17.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.853 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -124.1 95.93 0.52 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 79.19 53.1 4.58 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.481 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.5 t -96.91 146.82 24.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.922 0.391 . . . . 0.0 110.819 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 128.57 81.46 0.3 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.484 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 98.34 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.681 2.254 . . . . 0.0 112.327 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.3 m -156.0 -179.32 8.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 7.6 m -84.72 119.71 25.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.448 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -161.25 144.26 12.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 110.829 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -170.83 164.85 7.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.841 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.93 96.36 1.38 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -173.59 110.17 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.91 0.386 . . . . 0.0 110.854 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.9 t -170.91 156.1 4.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.81 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.52 70.28 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.497 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -111.61 83.73 4.63 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.625 0.726 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 172.58 12.38 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.665 2.243 . . . . 0.0 112.397 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.73 166.54 4.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.909 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.448 ' N ' ' HD2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -162.37 143.41 7.9 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.622 0.725 . . . . 0.0 110.827 -179.885 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -22.44 32.13 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.733 2.289 . . . . 0.0 112.342 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -53.39 148.17 9.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -107.8 83.22 1.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.62 -158.14 17.69 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 2.83 3.18 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.724 2.283 . . . . 0.0 112.305 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -80.18 -51.21 9.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -50.39 -47.04 56.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.472 HD13 ' CD1' ' A' ' 22' ' ' ILE . 4.6 mm? -74.54 -44.75 49.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.16 -18.51 35.06 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.451 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -86.54 1.37 51.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.724 0.297 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.472 ' CD1' HD13 ' A' ' 19' ' ' LEU . 59.2 mt -90.31 -58.37 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.415 ' CD1' HD13 ' A' ' 48' ' ' LEU . 16.7 mt -106.28 39.72 1.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.6 tp60 -64.59 110.52 2.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.81 31.08 7.96 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.52 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.406 HG21 HD22 ' A' ' 23' ' ' LEU . 85.8 t -121.89 145.64 28.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.874 0.369 . . . . 0.0 111.084 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.2 t -126.57 114.42 37.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.4 m -109.03 153.69 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.434 HG22 ' HB2' ' A' ' 53' ' ' ARG . 55.2 t -128.32 132.22 68.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.109 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 58.8 mt -83.41 126.15 32.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.6 p -146.8 110.16 4.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.56 42.15 5.22 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.433 ' CZ ' HG22 ' A' ' 64' ' ' ILE . 63.2 m-85 -129.31 156.94 43.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.877 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -142.88 134.07 25.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.531 ' HA ' ' C ' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -57.44 153.97 25.73 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.636 0.731 . . . . 0.0 110.859 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 35' ' ' ASN . 53.8 Cg_endo -69.76 -30.99 4.83 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.33 -0.053 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.449 ' C ' ' O ' ' A' ' 36' ' ' PRO . 15.3 t80 -34.5 -59.34 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -47.12 -48.76 22.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.0 m -63.85 -58.4 6.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -46.75 -56.64 5.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.92 HD11 HG11 ' A' ' 89' ' ' VAL . 20.0 tp -44.7 -55.74 5.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.56 ' HD3' ' CD2' ' A' ' 52' ' ' TYR . 13.9 ttm105 -51.5 -50.79 59.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.8 -52.04 35.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.46 ' HG2' ' ND1' ' A' ' 93' ' ' HIS . 62.6 mttt -60.86 -43.71 98.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.51 -39.91 85.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 68.2 mt -61.77 -48.51 80.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.443 ' C ' ' HB3' ' A' ' 19' ' ' LEU . 4.0 mm-40 -48.18 -52.28 21.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.456 HD23 HD12 ' A' ' 22' ' ' ILE . 35.2 mt -50.48 -24.29 3.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.34 20.78 10.6 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.549 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.41 153.07 18.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.348 . . . . 0.0 111.134 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.415 ' HD3' ' N ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -91.6 141.74 28.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.56 ' CD2' ' HD3' ' A' ' 42' ' ' ARG . 3.4 t80 -106.98 125.47 51.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.955 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.529 ' HD2' HG21 ' A' ' 57' ' ' THR . 30.8 mmt180 -121.64 144.25 40.08 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.622 0.725 . . . . 0.0 110.829 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -37.83 8.58 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.675 2.25 . . . . 0.0 112.336 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -134.81 156.45 48.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.818 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.554 ' CZ3' ' HB3' ' A' ' 60' ' ' SER . 29.1 t-105 -46.84 125.88 7.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.529 HG21 ' HD2' ' A' ' 53' ' ' ARG . 25.2 p -117.8 166.99 11.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.144 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -70.1 -12.41 61.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.58 -2.14 31.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.554 ' HB3' ' CZ3' ' A' ' 56' ' ' TRP . 2.3 m -66.92 118.43 10.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 71.3 p -97.97 -45.92 6.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -124.74 144.16 50.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.552 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.586 HD22 HG21 ' A' ' 76' ' ' VAL . 20.9 tp -112.16 116.84 31.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.433 HG22 ' CZ ' ' A' ' 33' ' ' PHE . 25.6 mm -83.87 92.53 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.17 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 47.8 t -96.98 133.71 41.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.18 -40.54 74.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -157.72 149.34 21.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.93 -179.18 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 64.3 45.92 3.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -121.65 158.85 53.0 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.539 0.685 . . . . 0.0 111.171 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -20.01 35.3 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.645 2.23 . . . . 0.0 112.346 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.419 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.2 tppp? -91.95 -33.68 14.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 73' ' ' TYR . 0.4 OUTLIER -62.84 -40.06 96.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.1 t -74.62 -35.02 62.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.817 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -65.94 -45.01 83.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.586 HG21 HD22 ' A' ' 63' ' ' LEU . 39.6 t -78.46 -15.04 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.576 ' CA ' HD11 ' A' ' 83' ' ' ILE . 49.6 tp -74.93 -40.49 60.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -75.09 -40.39 34.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.0 mt -55.9 -52.72 63.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 128.42 27.39 0.9 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.485 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -90.64 160.08 27.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.493 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.476 ' CZ ' ' HA ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -80.6 98.63 7.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.763 0.316 . . . . 0.0 110.82 -179.839 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.576 HD11 ' CA ' ' A' ' 77' ' ' LEU . 43.1 mt -85.46 108.96 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.084 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.793 HG11 ' OG ' ' A' ' 101' ' ' SER . 16.0 m -125.55 159.82 32.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 -73.36 -176.24 2.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.413 ' HA ' HG23 ' A' ' 64' ' ' ILE . 19.9 pttm -85.11 -33.55 22.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -47.05 -30.71 2.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 42.4 t90 -53.17 -69.1 0.12 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.95 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.92 HG11 HD11 ' A' ' 41' ' ' LEU . 9.0 p -61.92 -51.41 72.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.101 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.638 ' N ' HG13 ' A' ' 89' ' ' VAL . 57.7 mt -44.95 -49.76 10.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -71.92 -49.2 39.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.814 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 19.5 m -41.97 -44.49 3.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.46 ' ND1' ' HG2' ' A' ' 44' ' ' LYS . 48.5 t-80 -69.25 -60.99 1.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.602 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.2 tpm_? -39.95 -60.52 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 7.0 mtm -74.13 -13.8 60.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 93' ' ' HIS . 59.3 mtt85 55.28 42.27 30.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -141.94 165.77 26.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 58.5 ttt-85 -90.22 111.65 22.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 64.9 mt -97.32 147.94 33.7 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.65 0.738 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 117.71 5.24 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.717 2.278 . . . . 0.0 112.361 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.793 ' OG ' HG11 ' A' ' 84' ' ' VAL . 5.1 t -63.61 -28.89 70.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -52.07 -26.66 11.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 19.2 mtt-85 -81.57 -27.26 34.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -106.81 34.75 3.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.2 mt -81.13 116.47 21.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.9 mtp -79.61 -55.25 5.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.426 ' HB3' HD13 ' A' ' 77' ' ' LEU . . . -141.06 119.21 12.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.081 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -171.86 146.99 9.74 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.451 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -38.4 7.83 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.702 2.268 . . . . 0.0 112.347 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 170.56 -174.86 44.52 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.5 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 92.4 p -118.55 27.68 8.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.884 0.373 . . . . 0.0 110.819 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 24.9 t -54.41 -52.97 60.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.817 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.1 t -83.89 39.68 0.71 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 115' ' ' GLU . 14.2 tt0 -73.2 81.94 1.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 114' ' ' GLU . 33.6 mt-10 -37.47 147.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -63.31 174.33 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -104.8 -40.29 6.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -77.47 87.17 3.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.066 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.1 t -164.8 131.45 2.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 65.2 m80 -89.56 121.09 31.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.57 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 55.6 m -46.42 -61.0 2.0 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.966 -1.016 . . . . 0.0 110.893 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 158.01 47.28 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.459 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 86.01 105.85 0.74 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 71.1 m -93.47 90.36 6.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.892 0.377 . . . . 0.0 110.83 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -139.98 148.22 19.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.447 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 90.32 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.679 2.253 . . . . 0.0 112.3 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 71.6 m -58.84 -57.15 14.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.865 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 22.7 t -91.17 -55.3 3.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.851 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.488 -179.986 . . . . . . . . 0 0 . 1 stop_ save_