data_2hlu_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 2hlu _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 ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mmt . . . . . 0 N--CA 1.484 1.229 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 mt -147.84 -179.53 6.96 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 125.094 1.358 . . . . 0.0 108.88 176.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -147.3 150.61 35.13 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 126.503 1.921 . . . . 0.0 106.182 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -147.85 168.23 22.74 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 123.204 0.602 . . . . 0.0 111.118 172.237 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -128.71 140.4 51.76 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 106.126 -1.805 . . . . 0.0 106.126 163.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.9 mt -134.02 145.3 33.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 106.25 -1.759 . . . . 0.0 106.25 -173.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.7 mm -126.32 140.12 49.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 105.074 -2.195 . . . . 0.0 105.074 176.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.8 t -136.23 145.75 30.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 -170.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -141.72 150.91 42.43 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 125.382 1.473 . . . . 0.0 109.232 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 139.46 -158.88 25.63 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.108 -1.197 . . . . 0.0 110.108 -177.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -78.26 87.63 4.32 Favored 'General case' 0 C--O 1.231 0.118 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 163.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.3 m -128.99 17.74 2.65 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 C-N-CA 124.69 1.196 . . . . 0.0 110.41 -176.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -138.11 158.07 45.05 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 126.08 1.752 . . . . 0.0 107.403 169.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 63.69 27.52 71.17 Favored Glycine 0 CA--C 1.533 1.175 0 CA-C-O 119.199 -0.778 . . . . 0.0 112.065 -173.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.2 m -142.33 6.61 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 C-N-CA 126.057 1.743 . . . . 0.0 111.105 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.88 15.89 78.21 Favored Glycine 0 CA--C 1.532 1.118 0 O-C-N 121.462 -0.774 . . . . 0.0 113.858 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -59.31 -37.82 78.69 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 118.821 1.311 . . . . 0.0 112.891 -169.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 89.2 mtm-85 -63.69 -31.96 73.3 Favored 'General case' 0 N--CA 1.466 0.362 0 O-C-N 120.921 -1.112 . . . . 0.0 111.077 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -72.36 -38.16 68.62 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.911 0.778 . . . . 0.0 110.571 173.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -56.03 -51.28 68.35 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 119.184 0.902 . . . . 0.0 109.66 174.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.6 t -59.72 -43.37 91.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 124.153 0.981 . . . . 0.0 110.157 177.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -56.34 -48.94 75.76 Favored 'General case' 0 C--N 1.34 0.171 0 CA-C-N 118.956 0.798 . . . . 0.0 110.467 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.1 mtt -72.41 -34.23 67.72 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.65 0.38 . . . . 0.0 110.31 -176.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -70.82 -24.52 62.57 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 118.549 -0.738 . . . . 0.0 112.494 176.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.41 -45.45 31.55 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 119.606 1.093 . . . . 0.0 110.018 168.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -61.76 -37.0 82.68 Favored 'General case' 0 N--CA 1.461 0.122 0 C-N-CA 123.811 0.844 . . . . 0.0 111.59 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.26 0.0 OUTLIER -69.37 -3.05 12.57 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 178.008 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -121.76 6.49 9.93 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.415 1.486 . . . . 0.0 111.308 168.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp 44.93 39.66 3.82 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.966 1.706 . . . . 0.0 112.088 -171.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 98.5 mt -68.25 165.13 19.09 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 170.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.91 149.1 52.69 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 123.805 0.842 . . . . 0.0 109.469 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 139.36 -153.36 22.91 Favored Glycine 0 CA--C 1.531 1.067 0 N-CA-C 111.835 -0.506 . . . . 0.0 111.835 -170.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 1.9 p90 -141.09 166.2 25.44 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.984 0.897 . . . . 0.0 112.906 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.5 p -127.4 143.73 39.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 159.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 55.0 pttt -149.18 150.87 33.36 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 122.707 0.403 . . . . 0.0 111.314 176.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 50.2 t30 . . . . . 0 CA--C 1.534 0.338 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 165.366 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.282 0 CA-C-O 121.437 0.637 . . . . 0.0 110.634 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.3 t -125.14 154.38 33.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 169.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -130.67 143.08 50.5 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.006 1.322 . . . . 0.0 108.187 -177.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -124.03 148.06 28.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 171.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.6 tt -145.97 126.27 13.95 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 105.198 -2.149 . . . . 0.0 105.198 171.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -143.18 161.32 38.55 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 118.879 0.763 . . . . 0.0 111.061 -173.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -140.43 144.01 35.91 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 127.671 2.389 . . . . 0.0 107.058 174.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 161.18 -168.7 36.54 Favored Glycine 0 CA--C 1.528 0.865 0 CA-C-O 119.555 -0.58 . . . . 0.0 112.224 174.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -54.71 133.39 56.96 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 123.547 2.832 . . . . 0.0 110.408 172.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 pm0 -65.5 -27.43 68.47 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -173.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -69.87 -42.38 73.55 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 119.265 0.939 . . . . 0.0 111.047 172.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.71 -39.81 91.59 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 122.83 0.452 . . . . 0.0 110.091 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.4 mt -62.21 -48.01 81.88 Favored 'General case' 0 C--O 1.222 -0.371 0 C-N-CA 123.483 0.713 . . . . 0.0 110.439 175.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -59.39 -42.46 91.76 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 119.757 1.162 . . . . 0.0 110.656 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.8 m -61.34 -36.24 79.63 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 122.788 0.435 . . . . 0.0 111.007 175.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -69.52 -33.56 73.0 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 117.493 -1.241 . . . . 0.0 111.264 175.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.2 t -61.96 -42.62 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 121.17 1.805 . . . . 0.0 109.087 169.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -60.66 -38.27 84.32 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.125 0.875 . . . . 0.0 110.689 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.03 -50.52 65.9 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.286 0.494 . . . . 0.0 111.675 172.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.2 t -61.81 -46.86 95.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 C-N-CA 123.948 0.899 . . . . 0.0 110.156 -175.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -67.17 -21.16 65.81 Favored 'General case' 0 CA--C 1.53 0.212 0 CA-C-N 118.794 0.725 . . . . 0.0 112.297 -173.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -67.47 -29.11 68.48 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.698 0.681 . . . . 0.0 111.18 172.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.59 -178.67 35.07 Favored Glycine 0 CA--C 1.531 1.076 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 -156.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.9 157.67 74.33 Favored Pre-proline 0 CA--C 1.539 0.553 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 156.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 99.1 Cg_exo -46.66 -33.67 13.94 Favored 'Trans proline' 0 CA--C 1.543 0.951 0 C-N-CA 123.201 2.601 . . . . 0.0 113.992 164.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -74.15 -29.47 61.81 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.24 1.016 . . . . 0.0 112.826 176.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.5 m -78.4 176.46 9.33 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.734 1.614 . . . . 0.0 111.106 -176.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.5 pttt -144.12 114.55 7.55 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 154.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 99.9 t -69.93 136.52 25.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 164.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.4 p -119.13 -18.61 8.66 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.849 0.86 . . . . 0.0 110.741 175.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -155.04 151.89 28.95 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 124.347 1.059 . . . . 0.0 109.115 170.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.4 tt -150.4 147.88 15.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 125.289 1.436 . . . . 0.0 108.111 -178.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 57.3 m -138.75 144.89 39.66 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 126.098 1.759 . . . . 0.0 107.83 -176.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.3 t -136.63 144.72 31.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 C-N-CA 124.367 1.067 . . . . 0.0 108.416 -173.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.2 m -137.29 116.33 12.45 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 105.364 -2.087 . . . . 0.0 105.364 169.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -70.19 156.05 39.77 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 166.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.1 m -141.81 156.55 45.55 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 125.263 1.425 . . . . 0.0 108.062 -178.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -140.26 40.01 1.92 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.242 1.017 . . . . 0.0 108.433 -176.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.5 m -138.23 65.49 1.47 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 127.179 2.192 . . . . 0.0 106.199 -171.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 66.7 mt -49.12 148.57 2.36 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 127.048 2.139 . . . . 0.0 114.725 -155.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -72.96 -34.73 66.68 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.951 1.3 . . . . 0.0 109.995 171.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.43 18.24 49.97 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 124.238 0.923 . . . . 0.0 113.189 -174.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -72.92 166.52 22.87 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.323 1.049 . . . . 0.0 110.444 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 34.7 p80 -127.68 3.76 6.11 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.48 1.112 . . . . 0.0 112.423 -175.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -148.09 165.27 31.32 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 124.796 1.239 . . . . 0.0 108.966 176.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -97.57 153.2 18.33 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 166.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.0 m -141.14 159.02 43.11 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 118.543 0.61 . . . . 0.0 112.02 -176.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 28.1 mt -103.38 130.76 53.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 N-CA-C 104.463 -2.421 . . . . 0.0 104.463 166.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 80.0 t . . . . . 0 CA--C 1.538 0.49 0 C-N-CA 125.315 1.446 . . . . 0.0 107.567 -169.932 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.7 mmt . . . . . 0 N--CA 1.486 1.346 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 48.5 tp -139.17 170.9 15.12 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.812 1.645 . . . . 0.0 108.113 -177.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -148.34 148.92 30.93 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 126.542 1.937 . . . . 0.0 107.05 -174.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -145.91 166.64 25.39 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 123.057 0.543 . . . . 0.0 111.016 166.453 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.9 ttm-85 -120.2 140.1 51.66 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 163.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 52.4 mt -133.41 139.51 48.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 -179.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.8 mm -115.44 142.77 27.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 N-CA-C 105.358 -2.09 . . . . 0.0 105.358 172.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.7 t -138.03 138.64 43.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 107.009 -1.478 . . . . 0.0 107.009 -175.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -140.73 154.07 46.17 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 124.804 1.242 . . . . 0.0 109.457 -176.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.82 -158.41 23.81 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 109.217 -1.553 . . . . 0.0 109.217 -172.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -75.09 79.79 2.25 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 163.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.9 m -130.15 2.58 2.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 124.392 1.077 . . . . 0.0 111.363 -177.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -133.85 162.82 30.97 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 165.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 71.58 12.08 73.31 Favored Glycine 0 CA--C 1.538 1.515 0 N-CA-C 111.703 -0.559 . . . . 0.0 111.703 -161.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.4 m -145.67 160.13 12.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 128.217 2.607 . . . . 0.0 106.154 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.02 20.91 2.29 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 124.041 0.829 . . . . 0.0 114.67 -170.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -59.27 -34.02 71.75 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.856 1.328 . . . . 0.0 112.487 -172.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -47.6 64.69 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.165 0.586 . . . . 0.0 110.041 175.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -71.81 -39.85 69.55 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 118.657 -0.687 . . . . 0.0 110.216 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -56.02 -50.98 69.38 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-N 118.856 0.753 . . . . 0.0 110.432 178.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.8 t -58.07 -47.76 86.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 123.647 0.779 . . . . 0.0 109.62 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -58.72 -46.92 86.27 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.805 0.729 . . . . 0.0 111.08 178.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 66.4 mtt -70.9 -33.46 70.58 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.804 -0.56 . . . . 0.0 110.793 -173.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -68.26 -37.2 80.49 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.447 0.567 . . . . 0.0 110.799 173.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.01 -42.53 94.35 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.899 0.772 . . . . 0.0 110.523 173.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -66.22 -42.07 89.22 Favored 'General case' 0 C--O 1.228 -0.055 0 C-N-CA 123.763 0.825 . . . . 0.0 111.615 -177.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.06 -25.25 65.26 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 119.931 1.241 . . . . 0.0 111.712 176.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -83.64 -1.63 54.38 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.823 0.738 . . . . 0.0 112.469 168.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt 43.87 41.93 4.17 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 126.951 2.1 . . . . 0.0 112.915 -172.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.1 mt -74.92 168.97 18.89 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 163.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.59 148.8 52.43 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.276 1.03 . . . . 0.0 108.239 173.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 160.58 -156.13 27.39 Favored Glycine 0 CA--C 1.527 0.793 0 CA-C-N 118.431 0.56 . . . . 0.0 114.076 -169.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 1.6 p90 -142.81 166.97 23.2 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 124.149 0.98 . . . . 0.0 111.05 169.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.7 p -135.99 137.94 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 168.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -149.61 159.72 44.09 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 113.129 0.788 . . . . 0.0 113.129 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.6 t30 . . . . . 0 C--O 1.232 0.142 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 155.934 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? . . . . . 0 C--O 1.233 0.211 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 80.8 t -97.94 148.0 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 106.145 -1.798 . . . . 0.0 106.145 164.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -134.64 137.0 43.28 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 125.964 1.706 . . . . 0.0 106.99 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.0 mt -131.33 142.73 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 N-CA-C 104.439 -2.43 . . . . 0.0 104.439 -175.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.7 tt -142.54 122.49 13.6 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 105.149 -2.167 . . . . 0.0 105.149 175.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -143.59 158.03 43.97 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 118.31 0.504 . . . . 0.0 110.343 -174.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -138.27 155.62 48.44 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 126.067 1.747 . . . . 0.0 109.621 173.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 159.3 -167.84 35.11 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 124.427 1.013 . . . . 0.0 110.66 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.32 149.35 63.2 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 122.133 1.888 . . . . 0.0 110.209 174.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -58.02 -42.91 86.31 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.862 0.865 . . . . 0.0 111.689 -170.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -68.59 -37.91 80.23 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 118.73 0.696 . . . . 0.0 111.907 -176.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.91 -40.9 91.92 Favored 'General case' 0 C--N 1.338 0.078 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 175.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.0 mt -62.14 -42.45 99.26 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 118.378 -0.82 . . . . 0.0 110.581 175.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -62.39 -46.21 89.64 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.896 1.225 . . . . 0.0 110.031 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.1 m -57.58 -37.83 73.85 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.626 0.77 . . . . 0.0 110.606 176.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -70.35 -34.35 72.52 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 117.532 -1.223 . . . . 0.0 111.593 176.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.2 t -63.25 -41.32 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-N 121.381 1.901 . . . . 0.0 109.566 170.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -59.42 -39.74 84.47 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.253 0.933 . . . . 0.0 110.308 178.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.84 -49.43 70.63 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 122.589 0.356 . . . . 0.0 111.288 174.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 48.5 t -63.55 -46.11 95.87 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 123.513 0.725 . . . . 0.0 110.34 -175.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -67.6 -17.19 64.54 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.897 0.771 . . . . 0.0 112.684 -176.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -68.66 -27.4 65.95 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.025 0.829 . . . . 0.0 111.223 171.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.34 175.36 12.58 Favored Glycine 0 CA--C 1.532 1.121 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 -155.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 83.0 p -70.63 160.68 80.88 Favored Pre-proline 0 C--O 1.237 0.437 0 C-N-CA 118.419 -1.313 . . . . 0.0 108.175 161.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -49.8 -3.27 0.05 OUTLIER 'Trans proline' 0 CA--C 1.546 1.111 0 C-N-CA 124.478 3.452 . . . . 0.0 116.058 160.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -125.85 9.88 7.62 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.965 1.706 . . . . 0.0 111.34 -177.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.1 m -130.36 171.42 12.96 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.914 1.285 . . . . 0.0 110.178 -177.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -142.09 90.1 2.23 Favored 'General case' 0 CA--C 1.523 -0.084 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 174.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.2 p -59.69 136.13 23.6 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 161.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.4 p -121.91 -14.96 7.96 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.519 1.127 . . . . 0.0 110.775 175.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -152.93 145.24 23.98 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.414 1.086 . . . . 0.0 109.454 174.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 11.2 tt -144.37 143.71 23.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 125.669 1.588 . . . . 0.0 107.603 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 64.5 m -140.75 130.99 24.96 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 125.133 1.373 . . . . 0.0 107.843 -176.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.2 p -128.67 145.67 35.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 C-N-CA 124.886 1.274 . . . . 0.0 110.852 -173.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.0 m -138.02 115.94 11.58 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 105.703 -1.962 . . . . 0.0 105.703 174.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -67.13 162.82 21.53 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.791 0.805 . . . . 0.0 109.102 167.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.7 m -152.88 162.77 40.88 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 124.722 1.209 . . . . 0.0 108.36 174.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -139.78 35.07 1.98 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.147 0.979 . . . . 0.0 108.927 -171.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.3 m -136.62 62.4 1.61 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.772 2.029 . . . . 0.0 106.356 -172.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.4 mp -54.78 154.65 4.9 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.989 1.716 . . . . 0.0 113.659 -160.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -69.92 -39.99 75.82 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.071 1.349 . . . . 0.0 109.657 176.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.45 37.3 94.58 Favored Glycine 0 CA--C 1.534 1.227 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 -166.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.98 167.08 22.44 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.021 1.328 . . . . 0.0 109.341 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -141.35 23.43 2.16 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.846 0.858 . . . . 0.0 110.618 -178.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -159.93 172.32 17.79 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 125.886 1.674 . . . . 0.0 107.995 -173.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -122.97 133.37 54.38 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 164.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.0 m -122.19 160.46 25.12 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.541 0.736 . . . . 0.0 111.343 -167.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 10.9 mt -118.47 135.82 57.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 106.824 -1.547 . . . . 0.0 106.824 175.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.688 0 C-N-CA 124.016 0.926 . . . . 0.0 109.748 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 mmt . . . . . 0 N--CA 1.486 1.349 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.4 mt -134.76 177.92 7.41 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 125.428 1.491 . . . . 0.0 107.956 173.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -142.94 151.53 41.05 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.498 1.519 . . . . 0.0 108.098 177.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -143.07 167.23 22.57 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.103 0.477 . . . . 0.0 110.821 163.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -129.05 134.24 48.03 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 105.375 -2.083 . . . . 0.0 105.375 169.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.9 mt -131.79 137.02 55.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 106.055 -1.832 . . . . 0.0 106.055 -172.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.2 mm -112.12 141.34 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 105.203 -2.147 . . . . 0.0 105.203 174.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.6 t -134.96 134.68 53.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 106.492 -1.67 . . . . 0.0 106.492 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -132.09 149.64 52.36 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 125.271 1.428 . . . . 0.0 108.438 -173.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 137.03 -159.54 24.66 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 110.441 -1.063 . . . . 0.0 110.441 -178.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.6 ttt-85 -75.86 75.75 2.79 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 107.085 -1.45 . . . . 0.0 107.085 168.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.5 m -130.05 5.43 2.31 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 125.224 1.41 . . . . 0.0 110.776 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -136.22 150.9 49.18 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 106.241 -1.763 . . . . 0.0 106.241 174.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.99 1.83 63.88 Favored Glycine 0 CA--C 1.539 1.585 0 N-CA-C 111.969 -0.452 . . . . 0.0 111.969 -156.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.8 m -142.82 154.06 17.39 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 C-N-CA 128.123 2.569 . . . . 0.0 106.087 175.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.96 35.3 2.74 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-O 118.99 -0.894 . . . . 0.0 114.767 -161.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -55.94 -35.41 66.62 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 119.203 1.502 . . . . 0.0 112.693 -174.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.2 mtm-85 -56.31 -39.2 72.37 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.349 -0.844 . . . . 0.0 111.329 176.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -71.14 -39.55 71.91 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 118.94 0.791 . . . . 0.0 110.585 178.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -56.76 -52.34 65.38 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.786 0.721 . . . . 0.0 109.596 175.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.1 t -61.28 -40.13 84.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 123.242 0.617 . . . . 0.0 110.159 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -55.88 -50.11 71.53 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-N 118.998 0.817 . . . . 0.0 110.405 178.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 77.1 mtm -71.45 -36.81 71.36 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 119.461 -0.304 . . . . 0.0 110.594 -175.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -67.19 -32.45 73.53 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 118.454 0.57 . . . . 0.0 111.741 177.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.87 -43.21 65.83 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.918 0.781 . . . . 0.0 110.623 173.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -65.32 -44.68 87.04 Favored 'General case' 0 C--O 1.231 0.102 0 C-N-CA 123.769 0.828 . . . . 0.0 111.423 -175.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -18.59 64.18 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 118.571 0.623 . . . . 0.0 112.307 175.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 tpt85 -103.02 7.44 39.04 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.42 1.088 . . . . 0.0 111.383 176.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.6 mttm 47.77 34.37 3.78 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.906 2.082 . . . . 0.0 112.985 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.1 mt -75.3 165.75 24.68 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 172.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.64 146.52 50.98 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.046 0.938 . . . . 0.0 109.006 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 141.55 -154.11 24.5 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-N 118.177 0.444 . . . . 0.0 112.103 -167.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 3.1 p90 -137.51 162.47 33.63 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 117.83 0.815 . . . . 0.0 112.741 -178.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.6 p -132.65 142.72 41.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 156.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -161.7 171.63 17.6 Favored 'General case' 0 C--N 1.335 -0.056 0 C-N-CA 123.198 0.599 . . . . 0.0 112.276 -172.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 . . . . . 0 CA--C 1.538 0.498 0 C-N-CA 123.46 0.704 . . . . 0.0 109.748 162.152 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.8 mmt180 . . . . . 0 N--CA 1.47 0.55 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.3 t -102.97 148.51 8.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 105.521 -2.029 . . . . 0.0 105.521 164.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -131.58 138.98 49.07 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 177.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.8 mt -128.65 143.38 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 N-CA-C 104.462 -2.422 . . . . 0.0 104.462 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.4 tt -144.63 127.7 16.57 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 105.164 -2.161 . . . . 0.0 105.164 175.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -141.91 147.24 36.76 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 118.373 0.533 . . . . 0.0 110.035 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -116.52 153.56 31.95 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 125.556 1.542 . . . . 0.0 108.599 164.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 161.1 -171.62 37.18 Favored Glycine 0 CA--C 1.528 0.898 0 CA-C-O 119.677 -0.513 . . . . 0.0 112.768 176.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -57.48 149.14 68.21 Favored 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 123.911 3.074 . . . . 0.0 111.616 171.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -59.48 -45.56 91.32 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.162 0.585 . . . . 0.0 110.923 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -65.08 -40.59 94.84 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 118.387 0.539 . . . . 0.0 111.228 -177.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.58 -46.54 85.4 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 123.042 0.537 . . . . 0.0 110.231 176.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.5 mt -62.01 -45.74 92.27 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.53 0.732 . . . . 0.0 110.662 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -60.7 -45.76 92.97 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.118 0.872 . . . . 0.0 110.485 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.8 m -57.87 -39.17 77.17 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 120.899 0.38 . . . . 0.0 110.508 176.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -70.01 -32.57 70.81 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 117.424 -1.274 . . . . 0.0 111.396 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.5 t -62.51 -44.66 99.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 121.289 1.859 . . . . 0.0 109.545 168.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -59.07 -37.98 78.36 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 119.104 0.866 . . . . 0.0 110.515 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.17 -51.26 59.53 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.034 0.534 . . . . 0.0 111.367 173.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.6 t -63.81 -44.22 98.13 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 C-N-CA 124.069 0.948 . . . . 0.0 110.642 -173.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 44.1 pttt -66.99 -19.04 65.65 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.95 0.796 . . . . 0.0 112.657 -174.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -68.45 -28.32 66.95 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.712 0.687 . . . . 0.0 111.257 172.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.45 172.57 11.5 Favored Glycine 0 CA--C 1.533 1.172 0 N-CA-C 110.245 -1.142 . . . . 0.0 110.245 -158.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 27.3 t -65.2 144.85 99.12 Favored Pre-proline 0 CA--C 1.534 0.345 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 161.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -48.59 -27.44 10.63 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 123.494 2.796 . . . . 0.0 114.138 165.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -89.87 -0.37 57.52 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.277 1.031 . . . . 0.0 112.663 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.9 m -125.77 176.38 6.96 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.233 1.813 . . . . 0.0 109.514 -174.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.9 ttmt -144.69 95.72 2.75 Favored 'General case' 0 N--CA 1.461 0.125 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 175.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.3 p -59.74 137.43 22.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 162.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 54.0 p -120.2 -18.57 7.99 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.388 1.075 . . . . 0.0 110.867 174.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -154.42 150.92 28.39 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 124.227 1.011 . . . . 0.0 109.543 173.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.8 tt -146.31 146.01 19.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 125.776 1.63 . . . . 0.0 108.295 -176.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.3 m -139.74 149.15 43.25 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 125.752 1.621 . . . . 0.0 108.448 -176.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 50.2 t -139.96 145.06 27.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 C-N-CA 124.208 1.003 . . . . 0.0 109.073 -171.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.5 m -137.96 140.82 40.44 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 106.077 -1.823 . . . . 0.0 106.077 166.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -126.57 158.54 35.98 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.074 0.949 . . . . 0.0 110.883 -175.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.1 t -159.55 175.3 13.41 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.814 1.246 . . . . 0.0 110.237 -174.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -124.97 1.29 8.0 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.784 1.633 . . . . 0.0 110.006 169.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.1 m -80.6 134.96 35.98 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 105.651 -1.981 . . . . 0.0 105.651 163.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.5 mt -118.57 170.04 9.29 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 -165.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -95.25 -5.2 44.26 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.671 0.788 . . . . 0.0 111.515 -175.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 61.91 20.45 59.98 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 124.685 1.136 . . . . 0.0 112.188 -174.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -77.03 158.45 30.55 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.21 1.005 . . . . 0.0 110.104 -177.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 35.5 p80 -131.69 2.61 4.1 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.657 1.183 . . . . 0.0 112.061 -178.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -148.21 167.06 26.08 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 125.806 1.642 . . . . 0.0 108.017 174.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -95.56 150.69 20.06 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 166.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.5 m -140.83 158.81 43.42 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 118.33 0.514 . . . . 0.0 111.688 -175.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 36.4 mt -103.03 133.76 45.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 N-CA-C 105.025 -2.213 . . . . 0.0 105.025 167.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.9 t . . . . . 0 CA--C 1.543 0.711 0 N-CA-C 106.535 -1.654 . . . . 0.0 106.535 -179.709 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 81.0 mmm . . . . . 0 N--CA 1.481 1.105 0 CA-C-O 121.141 0.496 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 51.1 tp -145.67 169.85 17.65 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 126.322 1.849 . . . . 0.0 107.235 -178.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -146.4 148.65 32.54 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.689 1.196 . . . . 0.0 107.81 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -141.56 168.17 20.41 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.399 0.619 . . . . 0.0 111.142 171.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 -129.04 137.0 51.05 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 105.039 -2.208 . . . . 0.0 105.039 164.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.7 mt -130.98 140.94 47.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 106.271 -1.751 . . . . 0.0 106.271 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 23.6 mm -118.28 140.51 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 105.092 -2.188 . . . . 0.0 105.092 176.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.1 t -134.23 141.31 44.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 -174.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.408 ' CG ' ' HE ' ' A' ' 41' ' ' ARG . 21.4 t0 -136.38 150.72 48.94 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 126.283 1.833 . . . . 0.0 108.657 -175.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.68 -159.64 23.52 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 124.849 1.214 . . . . 0.0 110.153 -177.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 59.2 ttp85 -78.58 79.23 5.01 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 168.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 36.0 m -130.05 6.46 2.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 C-N-CA 125.014 1.325 . . . . 0.0 111.346 -174.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -131.66 162.55 30.14 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 169.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.86 -54.72 4.19 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 -162.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.3 m -63.63 147.27 12.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 159.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.76 37.68 2.66 Favored Glycine 0 CA--C 1.528 0.861 0 C-N-CA 124.548 1.07 . . . . 0.0 113.659 -170.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -56.02 -33.95 65.4 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 118.577 1.188 . . . . 0.0 112.92 -173.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.3 mtm-85 -57.94 -38.66 76.37 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 120.966 -1.084 . . . . 0.0 111.277 175.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -71.39 -38.57 71.49 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.665 0.666 . . . . 0.0 110.511 176.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -57.31 -51.7 68.33 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.895 0.77 . . . . 0.0 109.676 175.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.6 t -59.83 -40.75 83.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 C-N-CA 123.741 0.816 . . . . 0.0 110.076 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.77 -49.13 76.2 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 119.239 0.927 . . . . 0.0 110.803 178.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.4 mtt -71.51 -37.67 71.19 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 122.468 0.307 . . . . 0.0 110.248 -175.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -68.25 -30.54 69.6 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 119.152 -0.451 . . . . 0.0 111.691 178.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.98 -44.24 63.83 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 118.734 0.697 . . . . 0.0 110.429 172.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -65.06 -44.95 87.33 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 123.862 0.865 . . . . 0.0 111.323 -174.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.31 -15.73 58.18 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 175.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.0 tpt85 -109.02 9.2 26.44 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.817 1.247 . . . . 0.0 111.176 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.5 mttt 47.92 34.55 4.13 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.829 2.051 . . . . 0.0 113.14 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.6 mt -76.29 168.22 20.44 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 121.835 -0.541 . . . . 0.0 109.755 173.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -139.11 153.05 47.95 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.448 1.099 . . . . 0.0 109.082 176.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 138.55 -150.35 21.04 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -168.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 14.3 p90 -143.45 165.65 26.95 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 118.366 1.083 . . . . 0.0 112.832 176.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.2 p -129.58 144.69 37.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 159.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -152.5 159.6 43.31 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 121.191 0.52 . . . . 0.0 112.375 -175.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 . . . . . 0 C--O 1.235 0.314 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 161.043 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.408 ' HE ' ' CG ' ' A' ' 9' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--O 1.234 0.243 0 CA-C-O 121.384 0.612 . . . . 0.0 109.75 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.9 t -112.28 142.14 25.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 169.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -116.51 139.28 50.65 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 106.484 -1.673 . . . . 0.0 106.484 173.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.2 mt -127.73 140.9 47.88 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 N-CA-C 104.401 -2.444 . . . . 0.0 104.401 176.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.9 tt -145.47 122.6 11.46 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 105.345 -2.094 . . . . 0.0 105.345 178.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -143.99 150.82 38.87 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 118.459 0.572 . . . . 0.0 110.657 -173.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -121.26 152.2 39.15 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 125.65 1.58 . . . . 0.0 108.736 167.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 165.77 -176.52 41.21 Favored Glycine 0 CA--C 1.526 0.752 0 CA-C-O 119.856 -0.413 . . . . 0.0 112.257 176.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -54.94 144.93 65.31 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 123.381 2.721 . . . . 0.0 111.271 167.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -58.28 -38.04 76.21 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.491 0.717 . . . . 0.0 111.504 -178.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -68.37 -44.83 74.31 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 121.548 -0.72 . . . . 0.0 110.706 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.02 -44.82 94.35 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 123.235 0.614 . . . . 0.0 110.413 177.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 55.1 mt -63.62 -40.89 98.06 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 118.432 -0.794 . . . . 0.0 110.828 177.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -61.63 -45.31 94.63 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 120.262 1.392 . . . . 0.0 111.287 177.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.6 m -56.77 -38.18 72.12 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 118.549 0.613 . . . . 0.0 110.862 173.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -69.54 -34.46 74.26 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 117.444 -1.265 . . . . 0.0 111.437 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.0 t -62.73 -44.94 99.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 121.104 1.775 . . . . 0.0 108.87 170.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.02 -35.97 76.22 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.779 0.718 . . . . 0.0 111.154 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.44 -51.11 55.42 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.134 0.574 . . . . 0.0 111.123 173.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.9 t -63.77 -44.5 98.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 124.215 1.006 . . . . 0.0 110.808 -173.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -64.59 -21.26 66.66 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.94 0.791 . . . . 0.0 112.554 -174.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -69.85 -27.19 64.64 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 118.344 0.52 . . . . 0.0 111.824 174.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.74 -174.87 38.76 Favored Glycine 0 CA--C 1.533 1.162 0 N-CA-C 109.415 -1.474 . . . . 0.0 109.415 -155.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.76 156.47 83.11 Favored Pre-proline 0 CA--C 1.54 0.59 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 157.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -47.33 -34.19 18.19 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 123.145 2.563 . . . . 0.0 113.803 167.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -77.21 -25.52 51.78 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.058 0.943 . . . . 0.0 113.179 178.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.1 m -78.38 177.24 8.63 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.195 1.398 . . . . 0.0 111.806 -174.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -141.09 101.2 3.98 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 164.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.0 t -64.54 135.83 27.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 N-CA-C 106.71 -1.589 . . . . 0.0 106.71 163.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 77.2 p -117.89 -21.28 8.44 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.707 0.803 . . . . 0.0 110.73 172.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -155.26 153.99 31.47 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 124.115 0.966 . . . . 0.0 109.379 172.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.0 tt -149.45 144.96 17.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 C-N-CA 125.8 1.64 . . . . 0.0 107.821 -176.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 42.8 m -139.07 151.69 46.95 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.5 1.52 . . . . 0.0 108.455 -176.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.1 t -138.12 146.18 27.43 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 C-N-CA 123.931 0.892 . . . . 0.0 109.1 -168.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -135.06 144.04 47.02 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 127.186 2.195 . . . . 0.0 105.125 172.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -130.76 143.39 50.71 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 119.737 1.153 . . . . 0.0 108.888 -177.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.0 m -151.23 170.05 20.44 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.938 1.295 . . . . 0.0 109.801 -165.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -135.48 32.38 3.07 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.679 1.192 . . . . 0.0 108.333 176.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.3 m -118.8 55.67 0.92 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.772 1.629 . . . . 0.0 107.996 -159.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.1 mp -44.31 139.96 2.44 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 127.465 2.306 . . . . 0.0 112.702 -164.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -73.65 -37.74 65.2 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.806 1.242 . . . . 0.0 109.75 175.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 59.31 37.43 91.89 Favored Glycine 0 CA--C 1.534 1.243 0 N-CA-C 110.621 -0.992 . . . . 0.0 110.621 -164.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -68.61 146.79 52.73 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.119 0.968 . . . . 0.0 109.479 -174.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -70.55 -27.76 64.4 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -174.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -159.53 177.69 10.67 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 126.198 1.799 . . . . 0.0 108.216 -175.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -85.15 140.82 30.64 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 159.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.5 m -132.97 161.75 33.49 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 119.272 0.942 . . . . 0.0 111.679 -172.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.2 mt -105.38 134.37 47.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 104.711 -2.329 . . . . 0.0 104.711 165.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 58.8 t . . . . . 0 CA--C 1.536 0.417 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 -174.17 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 mmt . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 39.6 tp -148.62 166.36 28.55 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 125.626 1.57 . . . . 0.0 108.065 -178.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -134.85 148.54 50.17 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 125.343 1.457 . . . . 0.0 107.942 175.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -138.71 169.94 16.89 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.344 0.592 . . . . 0.0 110.821 167.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -129.89 138.69 51.07 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 105.887 -1.894 . . . . 0.0 105.887 164.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.8 mt -132.98 142.75 41.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 107.1 -1.444 . . . . 0.0 107.1 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.7 mm -114.31 143.71 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 173.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.5 t -136.72 135.63 48.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -125.14 155.14 40.39 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 126.428 1.891 . . . . 0.0 109.11 178.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.2 -157.37 22.85 Favored Glycine 0 CA--C 1.525 0.69 0 C-N-CA 125.111 1.338 . . . . 0.0 111.149 176.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.4 ttt85 -72.08 79.55 0.94 Allowed 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 160.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.2 m -136.0 8.11 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 C-N-CA 123.667 0.787 . . . . 0.0 111.7 -172.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -141.65 166.0 25.94 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 165.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.37 -50.89 4.1 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 -166.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.1 m -59.64 150.25 6.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 153.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.96 34.11 1.69 Allowed Glycine 0 CA--C 1.529 0.963 0 C-N-CA 124.381 0.991 . . . . 0.0 113.201 -175.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -61.88 -33.89 75.02 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.406 1.103 . . . . 0.0 111.881 -172.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 79.9 mtm-85 -59.85 -38.06 81.05 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 120.07 1.304 . . . . 0.0 110.812 177.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -69.56 -39.27 77.49 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.052 0.541 . . . . 0.0 110.492 175.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -57.62 -52.63 64.64 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.582 0.628 . . . . 0.0 109.86 175.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.0 t -58.14 -42.95 84.44 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 124.163 0.985 . . . . 0.0 109.784 177.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -55.83 -50.42 70.59 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 118.558 0.617 . . . . 0.0 110.813 179.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.5 mmt -79.44 -29.35 41.8 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 119.391 -0.338 . . . . 0.0 111.219 -171.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -67.42 -39.91 85.51 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 118.643 0.656 . . . . 0.0 110.46 172.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.92 -42.82 97.28 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 119.105 0.866 . . . . 0.0 110.296 174.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -62.66 -45.77 91.29 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.151 0.58 . . . . 0.0 111.605 -178.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -26.33 64.76 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 119.205 0.911 . . . . 0.0 111.842 177.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -81.77 4.82 20.65 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.408 0.683 . . . . 0.0 112.297 169.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.6 mttt 50.04 32.86 6.15 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 126.635 1.974 . . . . 0.0 112.774 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.5 mt -78.52 165.66 23.48 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 123.804 0.842 . . . . 0.0 109.496 175.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -131.57 152.43 50.79 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.454 1.101 . . . . 0.0 108.765 174.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 137.21 -148.21 19.66 Favored Glycine 0 CA--C 1.529 0.966 0 CA-C-N 118.465 0.575 . . . . 0.0 111.769 -169.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 3.0 p90 -145.4 166.91 24.23 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -178.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 p -132.84 146.47 32.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 C-N-CA 125.326 1.45 . . . . 0.0 107.282 158.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.7 pttt -151.99 162.64 40.76 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 123.571 0.748 . . . . 0.0 111.815 177.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.2 t30 . . . . . 0 CA--C 1.532 0.26 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 157.18 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.235 0 CA-C-O 121.203 0.525 . . . . 0.0 109.868 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 66.6 t -99.41 143.1 13.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 106.138 -1.801 . . . . 0.0 106.138 166.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -122.94 135.39 54.47 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 170.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 24.1 mt -128.93 142.93 42.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 104.685 -2.339 . . . . 0.0 104.685 -174.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.2 tt -146.8 123.85 11.42 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 106.004 -1.851 . . . . 0.0 106.004 177.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.13 147.56 33.88 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 118.592 0.633 . . . . 0.0 111.031 -172.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -128.09 155.52 44.26 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 126.168 1.787 . . . . 0.0 109.556 173.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 154.63 -165.97 32.17 Favored Glycine 0 CA--C 1.53 0.97 0 CA-C-O 119.512 -0.605 . . . . 0.0 111.7 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.58 131.53 43.01 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 123.544 2.83 . . . . 0.0 111.008 172.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -56.89 -28.61 62.1 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.925 0.89 . . . . 0.0 113.4 -177.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -69.97 -34.82 73.87 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 120.902 -1.123 . . . . 0.0 111.813 173.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.44 -36.43 63.39 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.2 mp -59.51 -51.53 69.46 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-O 118.477 -0.773 . . . . 0.0 110.315 171.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -58.06 -45.23 87.42 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 119.903 1.228 . . . . 0.0 110.944 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.6 m -60.01 -37.75 80.61 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.027 0.441 . . . . 0.0 111.219 176.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -69.28 -31.24 69.61 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 117.188 -1.387 . . . . 0.0 111.236 175.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.9 t -62.68 -44.7 99.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-N 121.666 2.03 . . . . 0.0 108.747 169.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -58.35 -39.75 80.36 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.089 0.859 . . . . 0.0 110.364 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.57 -49.11 70.06 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 174.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.7 t -67.87 -47.34 79.7 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 C-N-CA 124.327 1.051 . . . . 0.0 110.558 -172.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -63.22 -26.24 68.7 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.772 0.715 . . . . 0.0 111.444 -174.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -65.19 -28.74 69.6 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.377 0.671 . . . . 0.0 111.667 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.43 -178.31 38.65 Favored Glycine 0 CA--C 1.528 0.888 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 -156.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 54.5 p -68.56 160.9 74.35 Favored Pre-proline 0 CA--C 1.538 0.505 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 160.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_exo -46.98 -19.23 0.74 Allowed 'Trans proline' 0 CA--C 1.543 0.974 0 C-N-CA 123.839 3.026 . . . . 0.0 115.554 161.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -97.98 -16.63 19.59 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.322 1.049 . . . . 0.0 112.228 179.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.7 m -79.36 173.99 12.02 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.159 1.384 . . . . 0.0 111.601 -177.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -140.09 94.99 2.82 Favored 'General case' 0 C--O 1.231 0.087 0 N-CA-C 106.027 -1.842 . . . . 0.0 106.027 158.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.3 t -62.07 137.17 24.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 167.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.6 p -117.14 -22.62 8.27 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.354 0.661 . . . . 0.0 110.89 175.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -159.3 149.89 19.47 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.253 1.021 . . . . 0.0 109.747 175.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 7.9 pt -131.47 159.52 43.0 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 C-N-CA 125.011 1.324 . . . . 0.0 109.025 171.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.9 m -140.73 156.01 46.3 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 125.214 1.405 . . . . 0.0 108.004 173.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 37.2 t -140.8 146.2 24.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-N 118.708 0.685 . . . . 0.0 109.597 -168.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.7 143.37 50.7 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 105.062 -2.199 . . . . 0.0 105.062 166.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -135.22 139.91 44.86 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 119.953 1.252 . . . . 0.0 108.258 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 70.9 m -149.81 137.25 19.9 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.089 0.956 . . . . 0.0 108.904 -173.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.4 ttp180 -86.67 52.87 2.63 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 169.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.5 m -138.91 103.8 4.9 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 -168.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.8 mp -73.78 149.57 41.64 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.569 0.748 . . . . 0.0 110.001 -173.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -87.6 -16.66 33.9 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.151 1.381 . . . . 0.0 111.021 170.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.33 25.86 63.24 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.688 1.137 . . . . 0.0 113.182 179.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -73.67 167.15 21.96 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.121 0.961 . . . . 0.0 109.668 175.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -128.13 12.01 6.56 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.512 1.125 . . . . 0.0 111.2 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -150.62 165.73 32.47 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 125.703 1.601 . . . . 0.0 107.908 176.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -92.38 153.97 18.83 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 154.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.1 m -133.27 149.73 51.94 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.411 0.684 . . . . 0.0 110.633 -171.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 33.2 mt -100.97 132.08 47.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 N-CA-C 103.712 -2.699 . . . . 0.0 103.712 157.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.3 p . . . . . 0 CA--C 1.538 0.482 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 -176.253 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 mmt . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.814 0.34 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 43.9 tp -137.73 172.92 12.24 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.741 1.616 . . . . 0.0 107.641 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -148.36 151.68 35.74 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 125.579 1.552 . . . . 0.0 107.62 -177.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -146.33 168.38 21.25 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 123.237 0.615 . . . . 0.0 110.735 165.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -126.76 137.93 53.3 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 105.46 -2.052 . . . . 0.0 105.46 167.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.2 mt -134.39 142.7 40.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 -172.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.3 mm -120.12 143.03 33.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 N-CA-C 105.51 -2.033 . . . . 0.0 105.51 173.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.6 t -136.12 132.65 50.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 -177.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -119.08 153.79 34.21 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 126.188 1.795 . . . . 0.0 109.004 -176.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.85 -156.73 21.85 Favored Glycine 0 CA--C 1.522 0.529 0 C-N-CA 124.23 0.919 . . . . 0.0 111.61 173.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.8 ttp-105 -73.94 82.6 1.7 Allowed 'General case' 0 N--CA 1.462 0.133 0 N-CA-C 106.126 -1.805 . . . . 0.0 106.126 163.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.4 m -132.37 9.73 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 123.632 0.773 . . . . 0.0 111.298 -174.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -141.58 165.65 26.91 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.097 1.359 . . . . 0.0 107.547 167.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.82 -50.79 3.94 Favored Glycine 0 CA--C 1.529 0.943 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 -166.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.7 m -59.09 150.34 5.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 153.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.41 31.2 1.88 Allowed Glycine 0 CA--C 1.529 0.953 0 C-N-CA 124.256 0.931 . . . . 0.0 113.771 -172.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -59.96 -32.7 71.07 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 118.442 1.121 . . . . 0.0 112.306 -171.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -53.05 -46.15 68.37 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 119.085 0.857 . . . . 0.0 110.291 175.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -73.82 -36.93 65.01 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.246 0.618 . . . . 0.0 110.471 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -56.27 -51.58 67.63 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.814 0.734 . . . . 0.0 110.01 175.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.0 t -61.5 -41.27 89.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 123.26 0.624 . . . . 0.0 109.783 178.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.17 -49.01 75.22 Favored 'General case' 0 C--N 1.342 0.264 0 CA-C-N 118.829 0.741 . . . . 0.0 110.969 178.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 95.8 mtp -72.47 -37.67 68.42 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 122.719 0.408 . . . . 0.0 110.507 -174.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -68.49 -29.37 67.96 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.347 0.521 . . . . 0.0 111.739 178.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.13 -45.21 58.13 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 118.921 0.782 . . . . 0.0 110.54 171.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -64.97 -44.45 89.33 Favored 'General case' 0 C--O 1.231 0.117 0 C-N-CA 123.788 0.835 . . . . 0.0 111.595 -174.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -16.18 50.36 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 175.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 tpt85 -110.48 7.25 22.61 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.191 1.396 . . . . 0.0 111.282 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt 48.63 33.06 3.86 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.318 1.847 . . . . 0.0 112.911 -178.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.0 mt -73.94 165.83 24.44 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 169.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -139.41 151.01 45.93 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.088 0.955 . . . . 0.0 109.051 176.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 141.64 -150.64 22.1 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -167.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.2 p90 -140.54 165.2 28.1 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 118.332 1.066 . . . . 0.0 112.671 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.1 p -131.38 141.01 47.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 N-CA-C 106.347 -1.723 . . . . 0.0 106.347 158.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -153.74 156.7 38.26 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 121.551 0.691 . . . . 0.0 112.722 -176.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.3 t30 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 114.565 -1.198 . . . . 0.0 109.551 169.73 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 45.7 mtm180 . . . . . 0 C--O 1.234 0.276 0 CA-C-O 122.453 1.12 . . . . 0.0 111.775 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 83.4 t -114.29 147.63 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 171.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -116.98 141.23 48.5 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 171.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.5 mt -128.8 144.93 36.57 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 N-CA-C 104.907 -2.257 . . . . 0.0 104.907 175.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.7 tt -143.92 128.27 17.86 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 105.115 -2.179 . . . . 0.0 105.115 174.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -142.74 152.76 42.66 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 118.501 0.591 . . . . 0.0 110.08 -178.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -125.26 155.05 40.74 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 125.752 1.621 . . . . 0.0 109.332 164.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 158.63 -168.58 34.89 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 123.951 0.786 . . . . 0.0 111.676 177.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -56.9 144.68 87.84 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 123.526 2.817 . . . . 0.0 111.5 172.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -62.48 -34.9 77.76 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.517 0.727 . . . . 0.0 111.211 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -67.15 -47.16 71.87 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.006 -1.058 . . . . 0.0 110.933 176.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.51 -46.01 90.08 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 123.688 0.795 . . . . 0.0 110.384 178.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 43.7 mt -62.27 -40.83 97.51 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 118.325 -0.845 . . . . 0.0 110.95 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -62.25 -48.33 80.41 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 119.974 1.261 . . . . 0.0 111.031 176.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.6 p -58.86 -33.48 70.51 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 118.711 0.687 . . . . 0.0 111.356 175.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -71.29 -33.9 70.14 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 117.423 -1.275 . . . . 0.0 111.177 178.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.5 t -62.21 -44.71 99.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-N 121.134 1.788 . . . . 0.0 108.973 168.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -60.8 -34.44 74.51 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.085 0.857 . . . . 0.0 111.36 -178.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.88 -54.16 21.05 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.101 0.56 . . . . 0.0 110.766 171.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.2 t -60.75 -42.94 94.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 124.494 1.118 . . . . 0.0 111.086 -173.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -66.43 -19.73 65.87 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 119.073 0.851 . . . . 0.0 112.655 -175.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -72.25 -22.12 61.28 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.945 0.793 . . . . 0.0 111.528 172.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.77 -169.66 41.51 Favored Glycine 0 CA--C 1.533 1.216 0 N-CA-C 109.069 -1.612 . . . . 0.0 109.069 -156.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 96.8 p -70.04 162.86 66.05 Favored Pre-proline 0 CA--C 1.539 0.532 0 O-C-N 121.34 -1.094 . . . . 0.0 108.107 157.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_exo -47.88 -26.57 7.4 Favored 'Trans proline' 0 CA--C 1.542 0.905 0 C-N-CA 123.415 2.744 . . . . 0.0 114.624 164.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -87.15 -23.95 24.66 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.704 0.802 . . . . 0.0 111.955 178.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.3 m -71.59 171.28 11.72 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.868 0.867 . . . . 0.0 111.777 -177.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -138.41 98.28 3.56 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 105.548 -2.019 . . . . 0.0 105.548 160.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 68.5 t -64.26 135.35 28.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 N-CA-C 106.745 -1.576 . . . . 0.0 106.745 168.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 56.6 p -115.8 -21.51 9.56 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.605 0.762 . . . . 0.0 110.678 175.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -157.29 156.31 32.21 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 124.621 1.168 . . . . 0.0 108.929 170.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.8 tt -146.78 146.67 18.51 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 C-N-CA 125.624 1.57 . . . . 0.0 107.924 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.5 m -136.76 145.32 44.45 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 125.69 1.596 . . . . 0.0 107.912 -176.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 49.9 t -138.06 142.91 34.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 C-N-CA 124.292 1.037 . . . . 0.0 108.414 -174.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.0 m -137.55 112.53 9.04 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 105.976 -1.861 . . . . 0.0 105.976 171.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -69.66 157.34 37.44 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 169.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 75.2 m -156.09 162.57 40.25 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.814 1.246 . . . . 0.0 109.545 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.4 mtt85 -140.29 42.16 1.91 Allowed 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.195 1.398 . . . . 0.0 108.475 -177.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.7 m -136.37 60.19 1.68 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 126.927 2.091 . . . . 0.0 106.428 -171.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.6 mp -55.57 153.15 8.12 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.688 1.595 . . . . 0.0 113.057 -161.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -73.71 -37.35 65.19 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.101 1.36 . . . . 0.0 110.175 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 65.86 24.93 71.71 Favored Glycine 0 CA--C 1.535 1.336 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 -162.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.92 134.72 57.3 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 -175.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -81.47 -16.23 52.6 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -172.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -153.84 174.64 14.31 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 125.924 1.69 . . . . 0.0 108.698 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -89.56 142.91 27.24 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 162.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.3 m -137.76 164.43 28.91 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 119.28 0.945 . . . . 0.0 112.001 -170.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.6 mt -112.86 140.32 33.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 N-CA-C 105.463 -2.051 . . . . 0.0 105.463 170.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.0 t . . . . . 0 CA--C 1.535 0.368 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 173.84 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.5 mtt . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 121.002 0.429 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -136.38 176.27 8.85 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 125.6 1.56 . . . . 0.0 108.555 -177.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -148.65 147.9 29.48 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 -178.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -141.85 170.5 15.59 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 123.282 0.633 . . . . 0.0 110.531 169.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -130.41 138.69 50.47 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 105.593 -2.003 . . . . 0.0 105.593 167.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.8 mt -132.47 140.23 48.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 106.17 -1.789 . . . . 0.0 106.17 -175.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.1 mm -125.39 135.12 64.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 N-CA-C 105.467 -2.049 . . . . 0.0 105.467 -174.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.4 t -133.73 135.11 55.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 -170.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -110.33 149.5 30.12 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 106.821 -1.548 . . . . 0.0 106.821 166.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.13 -174.38 36.89 Favored Glycine 0 N--CA 1.446 -0.642 0 CA-C-O 121.349 0.416 . . . . 0.0 112.556 176.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.6 ttp-105 -71.77 99.66 2.2 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 105.214 -2.143 . . . . 0.0 105.214 152.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.8 m -138.69 -28.66 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -177.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.3 mp0 -75.43 -56.85 4.31 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 120.165 1.348 . . . . 0.0 111.585 -172.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.17 -31.58 72.06 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.737 -0.545 . . . . 0.0 111.737 -172.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.6 m -73.74 -5.95 7.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 C-N-CA 125.07 1.348 . . . . 0.0 112.428 174.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.12 35.28 49.74 Favored Glycine 0 C--N 1.341 0.835 0 CA-C-N 119.066 0.848 . . . . 0.0 112.678 171.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -53.58 -34.67 59.2 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 118.332 1.066 . . . . 0.0 112.235 -178.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.7 ptt-85 -51.46 -37.42 48.75 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.552 -0.717 . . . . 0.0 112.83 175.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -72.39 -40.63 67.07 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 118.922 0.783 . . . . 0.0 109.948 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -60.11 -48.93 79.65 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 118.416 0.553 . . . . 0.0 110.018 176.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.1 t -52.77 -52.81 24.7 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 C-N-CA 124.009 0.924 . . . . 0.0 109.198 175.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -59.71 -45.51 91.9 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 118.237 0.471 . . . . 0.0 111.374 -176.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.8 mtt -74.88 -34.65 62.24 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.788 -0.57 . . . . 0.0 110.766 -172.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -73.9 -24.63 59.72 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.544 -0.723 . . . . 0.0 111.4 174.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.48 -46.94 62.78 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 119.194 0.906 . . . . 0.0 109.618 169.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -63.33 -39.16 93.77 Favored 'General case' 0 N--CA 1.458 -0.051 0 C-N-CA 124.283 1.033 . . . . 0.0 111.654 -176.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -21.99 66.88 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 118.915 0.779 . . . . 0.0 112.081 176.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.5 mmm-85 -98.06 4.7 49.21 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.323 1.049 . . . . 0.0 112.072 172.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt 48.99 33.96 5.1 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.976 1.711 . . . . 0.0 112.551 -173.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.4 mt -69.76 165.35 21.6 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 169.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.62 149.09 51.53 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 124.645 1.178 . . . . 0.0 108.335 175.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 160.03 -163.68 33.9 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 120.712 -0.756 . . . . 0.0 114.686 -169.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 1.4 p90 -135.78 163.14 30.87 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 123.963 0.905 . . . . 0.0 111.335 173.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.6 p -137.14 141.84 39.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 165.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -154.12 153.02 31.11 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 123.194 0.598 . . . . 0.0 111.338 177.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.1 t30 . . . . . 0 CA--C 1.535 0.379 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 163.729 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 . . . . . 0 CA--C 1.529 0.146 0 CA-C-O 121.475 0.655 . . . . 0.0 109.772 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.2 t -118.88 148.93 21.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 104.939 -2.245 . . . . 0.0 104.939 159.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -123.61 141.58 51.87 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 125.072 1.349 . . . . 0.0 107.939 177.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.7 mt -128.09 143.13 41.86 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 N-CA-C 104.079 -2.563 . . . . 0.0 104.079 178.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.3 tt -140.95 128.65 21.55 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 105.001 -2.222 . . . . 0.0 105.001 173.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -141.97 153.57 44.4 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 118.613 0.642 . . . . 0.0 110.319 -174.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -130.82 142.5 50.39 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 126.884 2.074 . . . . 0.0 107.63 175.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 170.19 -173.43 44.2 Favored Glycine 0 CA--C 1.527 0.811 0 CA-C-O 119.685 -0.508 . . . . 0.0 112.05 176.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -68.88 152.22 73.71 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 C-N-CA 122.425 2.083 . . . . 0.0 109.934 171.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -60.48 -39.77 88.89 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.119 0.568 . . . . 0.0 111.727 -170.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -61.84 -44.14 97.44 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 119.116 0.871 . . . . 0.0 111.414 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.34 -43.63 90.27 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.2 mt -62.03 -47.02 86.59 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 118.794 -0.622 . . . . 0.0 110.754 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -63.05 -44.88 94.63 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.703 1.138 . . . . 0.0 110.83 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.6 m -59.2 -37.62 77.88 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.214 0.531 . . . . 0.0 110.352 175.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -70.89 -29.74 65.9 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-O 117.12 -1.419 . . . . 0.0 111.696 176.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.3 t -62.92 -44.22 99.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 CA-C-N 121.51 1.959 . . . . 0.0 108.703 167.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.44 -34.98 74.76 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.005 0.82 . . . . 0.0 111.148 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.21 -54.49 20.61 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.287 0.494 . . . . 0.0 111.548 170.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.1 t -60.5 -42.98 93.33 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 124.736 1.215 . . . . 0.0 111.225 -172.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -64.28 -19.84 65.68 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.775 0.716 . . . . 0.0 112.507 -174.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -70.28 -27.24 64.26 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.48 0.582 . . . . 0.0 111.892 174.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.44 -174.41 38.51 Favored Glycine 0 CA--C 1.536 1.392 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -154.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.0 m -63.56 157.95 62.23 Favored Pre-proline 0 CA--C 1.54 0.584 0 O-C-N 121.15 -1.206 . . . . 0.0 108.016 157.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_exo -47.17 -34.04 16.93 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 123.199 2.599 . . . . 0.0 113.947 165.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -80.44 -19.69 45.52 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.115 0.966 . . . . 0.0 113.161 178.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.4 m -71.29 172.81 8.68 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 123.853 0.861 . . . . 0.0 112.006 -177.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -139.37 95.56 2.95 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 162.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 97.7 t -62.52 135.44 26.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 170.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.0 p -115.95 -23.82 8.39 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.074 0.95 . . . . 0.0 110.822 177.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -159.09 150.91 20.74 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.624 1.17 . . . . 0.0 108.868 172.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.4 tt -143.85 144.09 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 C-N-CA 124.674 1.19 . . . . 0.0 108.804 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 44.2 m -142.14 159.81 41.49 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.167 1.787 . . . . 0.0 109.126 -177.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.7 t -139.12 147.88 24.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 124.196 0.998 . . . . 0.0 109.423 -169.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -127.69 145.08 51.01 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 127.373 2.269 . . . . 0.0 105.053 166.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -127.22 139.72 52.73 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.4 m -150.87 165.86 32.34 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.063 0.545 . . . . 0.0 110.613 -159.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 83.0 mtt85 -137.1 25.25 3.0 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.742 1.217 . . . . 0.0 109.284 168.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.7 m -85.95 58.0 4.8 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.581 1.952 . . . . 0.0 107.887 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 37.5 mt -51.65 140.72 18.05 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.344 1.458 . . . . 0.0 112.712 -159.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -72.31 -35.02 68.54 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.715 1.206 . . . . 0.0 109.5 172.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 61.14 15.95 46.29 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 124.222 0.915 . . . . 0.0 112.947 -173.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -77.7 169.62 17.99 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.731 1.212 . . . . 0.0 110.374 -178.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 31.7 p-80 -128.87 10.22 5.94 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.329 1.452 . . . . 0.0 111.522 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -147.71 170.78 16.82 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 125.615 1.566 . . . . 0.0 108.875 -174.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.01 145.06 48.5 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.1 m -129.68 153.43 48.15 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.428 0.691 . . . . 0.0 110.862 -168.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 9.8 mt -115.54 133.28 62.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 N-CA-C 105.142 -2.17 . . . . 0.0 105.142 172.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 CA--C 1.534 0.334 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 -176.147 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.8 mmm . . . . . 0 N--CA 1.485 1.3 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 32.9 tp -145.95 172.44 13.37 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.388 1.475 . . . . 0.0 107.315 169.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -149.23 141.41 24.01 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 126.268 1.827 . . . . 0.0 107.315 -174.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -142.88 167.88 21.02 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 123.38 0.672 . . . . 0.0 111.093 171.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -126.51 140.16 52.67 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 105.771 -1.937 . . . . 0.0 105.771 166.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.7 mt -133.35 139.67 48.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 17.2 mm -112.89 143.55 22.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 105.248 -2.13 . . . . 0.0 105.248 174.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.5 t -138.07 137.48 44.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 -174.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -137.54 154.62 49.79 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 125.592 1.557 . . . . 0.0 109.402 -176.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.89 -157.01 23.16 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 125.552 1.549 . . . . 0.0 109.977 -175.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -72.62 84.72 1.16 Allowed 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 106.421 -1.696 . . . . 0.0 106.421 160.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.6 m -135.52 6.83 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 123.44 0.696 . . . . 0.0 111.635 -173.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -134.13 163.91 28.53 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 166.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.81 -50.7 3.92 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -167.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.4 m -60.03 150.21 6.45 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 156.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.25 37.21 2.19 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 124.341 0.972 . . . . 0.0 113.166 -173.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -59.67 -34.34 72.72 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.328 1.064 . . . . 0.0 112.348 -170.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 46.7 mtm-85 -53.09 -45.4 68.19 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.146 0.885 . . . . 0.0 111.189 173.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -70.87 -37.1 73.06 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 119.064 -0.493 . . . . 0.0 110.334 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -58.28 -53.39 58.78 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.88 0.763 . . . . 0.0 110.152 175.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.7 t -58.8 -40.23 79.27 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 123.169 0.587 . . . . 0.0 109.595 178.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -56.85 -49.68 74.72 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-N 118.435 0.562 . . . . 0.0 111.164 177.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.9 mtt -72.15 -37.21 69.45 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 122.453 0.301 . . . . 0.0 110.393 -173.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -70.74 -25.76 63.06 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.332 0.514 . . . . 0.0 111.802 177.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.05 -44.36 48.15 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 119.233 0.924 . . . . 0.0 110.259 170.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -65.54 -42.64 91.69 Favored 'General case' 0 C--O 1.231 0.109 0 C-N-CA 124.329 1.052 . . . . 0.0 111.554 -174.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -21.9 61.37 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.509 0.595 . . . . 0.0 111.99 175.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -108.47 7.3 26.83 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.83 1.252 . . . . 0.0 111.295 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt 44.91 36.7 2.0 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.417 1.887 . . . . 0.0 112.863 -176.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.7 mt -70.54 165.39 22.8 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 171.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.55 147.23 52.21 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 123.827 0.851 . . . . 0.0 109.267 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 139.98 -150.61 21.6 Favored Glycine 0 CA--C 1.531 1.091 0 N-CA-C 112.191 -0.363 . . . . 0.0 112.191 -169.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 13.1 p90 -149.81 167.14 27.39 Favored 'General case' 0 C--O 1.235 0.298 0 O-C-N 121.912 -0.758 . . . . 0.0 112.668 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.3 p -130.91 137.39 56.02 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 106.951 -1.5 . . . . 0.0 106.951 162.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -147.95 162.94 38.3 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 124.589 1.155 . . . . 0.0 110.996 -170.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.9 t30 . . . . . 0 CA--C 1.539 0.554 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 162.683 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? . . . . . 0 C--O 1.234 0.257 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.8 t -101.04 147.56 7.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 165.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -133.44 136.53 45.25 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 106.39 -1.707 . . . . 0.0 106.39 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.1 mt -131.22 143.83 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 104.483 -2.414 . . . . 0.0 104.483 -173.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.8 tt -142.08 125.97 17.15 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 105.475 -2.046 . . . . 0.0 105.475 175.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -141.59 152.41 44.0 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.132 0.573 . . . . 0.0 109.552 -175.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -133.28 154.18 50.91 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 125.321 1.448 . . . . 0.0 108.97 169.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.95 -171.31 38.71 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-O 119.661 -0.522 . . . . 0.0 112.094 -178.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -55.58 146.66 63.26 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 123.835 3.023 . . . . 0.0 111.405 167.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.52 -32.91 74.56 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.751 -0.593 . . . . 0.0 112.349 -176.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -70.21 -43.46 70.61 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.359 0.982 . . . . 0.0 110.463 177.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.11 -45.89 91.45 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.265 0.626 . . . . 0.0 109.771 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.3 mt -64.0 -44.51 92.41 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 118.348 -0.834 . . . . 0.0 111.47 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -63.66 -42.72 98.05 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 120.267 1.394 . . . . 0.0 110.935 178.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.6 m -58.56 -38.9 78.81 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.046 0.451 . . . . 0.0 110.137 174.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -70.41 -29.85 66.57 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 117.52 -1.229 . . . . 0.0 111.582 177.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.0 t -62.44 -45.16 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-N 121.239 1.836 . . . . 0.0 108.593 168.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -60.36 -37.63 81.31 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.823 0.738 . . . . 0.0 110.928 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.07 -49.52 69.72 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.027 0.376 . . . . 0.0 111.341 173.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.1 t -65.32 -46.36 90.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 C-N-CA 124.283 1.033 . . . . 0.0 111.019 -174.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -64.52 -23.46 67.28 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 119.079 0.854 . . . . 0.0 111.999 -173.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -66.08 -28.66 68.99 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.39 0.541 . . . . 0.0 111.549 174.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.54 -177.23 37.44 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 -156.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 98.3 p -67.02 159.81 74.18 Favored Pre-proline 0 CA--C 1.537 0.46 0 C-N-CA 118.855 -1.138 . . . . 0.0 108.217 159.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_exo -47.11 -27.5 6.36 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 123.447 2.765 . . . . 0.0 114.545 163.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -82.55 -27.08 31.84 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.537 0.735 . . . . 0.0 111.884 176.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.6 m -71.61 171.04 12.16 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.863 0.865 . . . . 0.0 111.428 -178.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -142.32 88.32 2.08 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 105.941 -1.874 . . . . 0.0 105.941 166.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 70.7 t -62.58 135.94 26.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 174.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.8 p -110.59 -27.04 9.14 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.182 0.993 . . . . 0.0 110.457 173.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -159.27 149.0 18.75 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 123.952 0.901 . . . . 0.0 110.125 -178.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 10.1 pt -131.25 160.81 42.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 125.129 1.372 . . . . 0.0 109.342 170.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.3 m -141.67 157.83 44.58 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.499 1.52 . . . . 0.0 108.211 174.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 40.1 t -139.48 146.89 24.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 C-N-CA 123.636 0.774 . . . . 0.0 109.651 -170.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -131.21 148.43 52.7 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 127.144 2.178 . . . . 0.0 105.368 167.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -132.96 151.73 52.02 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 119.596 1.089 . . . . 0.0 108.234 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 55.0 m -160.68 168.88 23.96 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.3 1.04 . . . . 0.0 109.886 -175.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -140.66 63.79 1.45 Allowed 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 165.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.4 m -134.83 61.98 1.66 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 127.631 2.372 . . . . 0.0 105.298 -176.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -53.43 149.56 7.55 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 126.531 1.932 . . . . 0.0 113.202 -154.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -70.26 -29.8 66.68 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.466 1.106 . . . . 0.0 109.747 170.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 58.89 31.18 67.6 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.047 0.832 . . . . 0.0 112.093 -177.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -85.03 167.94 15.36 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.939 1.296 . . . . 0.0 109.811 -178.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -130.14 10.71 5.42 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.486 1.115 . . . . 0.0 111.441 -178.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -147.75 161.46 41.18 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 125.036 1.335 . . . . 0.0 108.985 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -100.65 156.23 17.43 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 166.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -138.64 158.62 43.89 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 122.883 0.473 . . . . 0.0 111.853 -168.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 40.5 mt -115.42 143.35 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 106.634 -1.617 . . . . 0.0 106.634 168.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.539 0.522 0 N-CA-C 106.874 -1.528 . . . . 0.0 106.874 167.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.482 1.127 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 33.9 tp -149.02 -179.95 7.41 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.718 2.007 . . . . 0.0 107.232 176.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -145.83 148.79 33.27 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 126.526 1.93 . . . . 0.0 107.119 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -145.46 168.11 21.34 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 123.414 0.685 . . . . 0.0 111.295 169.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -129.31 139.14 51.86 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 105.732 -1.951 . . . . 0.0 105.732 165.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.2 mt -134.14 144.58 34.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 106.601 -1.629 . . . . 0.0 106.601 -173.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 14.8 mm -124.78 142.97 39.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 N-CA-C 105.633 -1.988 . . . . 0.0 105.633 177.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.0 t -136.62 139.72 44.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 -176.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -124.14 155.93 37.58 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 125.776 1.63 . . . . 0.0 108.682 177.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.17 -159.57 24.07 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 124.581 1.086 . . . . 0.0 110.979 173.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.3 ttp-105 -73.0 79.59 1.19 Allowed 'General case' 0 C--O 1.227 -0.12 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 159.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.9 m -129.3 4.54 2.62 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 C-N-CA 124.538 1.135 . . . . 0.0 110.064 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -139.64 156.68 46.7 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.844 2.058 . . . . 0.0 105.628 172.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.91 15.18 73.81 Favored Glycine 0 CA--C 1.539 1.534 0 N-CA-C 111.76 -0.536 . . . . 0.0 111.76 -160.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.1 m -142.55 160.13 19.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 128.154 2.581 . . . . 0.0 105.484 174.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.36 24.2 1.43 Allowed Glycine 0 CA--C 1.532 1.103 0 C-N-CA 123.903 0.764 . . . . 0.0 114.286 -172.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -60.51 -35.61 76.37 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.825 1.313 . . . . 0.0 112.433 -171.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.0 mtt85 -59.43 -39.59 84.02 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.529 1.059 . . . . 0.0 110.417 178.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -71.91 -37.17 70.12 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 119.023 -0.513 . . . . 0.0 110.7 176.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -56.61 -52.39 65.03 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 118.934 0.788 . . . . 0.0 109.755 175.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.03 -42.88 91.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 123.812 0.845 . . . . 0.0 109.864 177.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -56.07 -49.12 74.69 Favored 'General case' 0 C--N 1.34 0.19 0 CA-C-N 118.689 0.677 . . . . 0.0 110.892 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.4 mmm -75.85 -34.71 60.08 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 119.436 -0.316 . . . . 0.0 110.42 -173.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -67.26 -31.1 71.2 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.407 0.549 . . . . 0.0 111.49 175.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.7 -44.49 64.11 Favored 'General case' 0 CA--C 1.528 0.114 0 CA-C-N 119.14 0.882 . . . . 0.0 110.484 172.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -65.92 -43.07 89.17 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 123.559 0.744 . . . . 0.0 111.797 -175.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.67 -18.0 63.53 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.009 0.822 . . . . 0.0 112.207 175.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.2 tpt85 -105.27 3.68 30.24 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.938 1.295 . . . . 0.0 111.377 177.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm 41.66 42.21 1.98 Allowed 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 127.181 2.193 . . . . 0.0 112.811 -174.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 79.5 mt -73.44 165.25 25.41 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 166.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.24 146.54 51.13 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 124.155 0.982 . . . . 0.0 109.206 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 142.99 -154.24 25.24 Favored Glycine 0 CA--C 1.533 1.171 0 CA-C-N 118.044 0.384 . . . . 0.0 112.49 -170.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 7.7 p90 -140.96 164.54 29.99 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 118.047 0.924 . . . . 0.0 112.726 -178.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 p -132.04 143.77 39.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 159.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -156.36 161.07 40.18 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 123.011 0.524 . . . . 0.0 112.036 -174.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 . . . . . 0 CA--C 1.532 0.277 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 158.555 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.1 mmp_? . . . . . 0 C--O 1.236 0.355 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.8 t -99.72 146.0 9.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 105.13 -2.174 . . . . 0.0 105.13 159.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -122.96 139.81 53.68 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 106.268 -1.753 . . . . 0.0 106.268 171.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.1 mt -130.56 144.96 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 N-CA-C 104.743 -2.318 . . . . 0.0 104.743 178.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.9 tt -142.61 128.28 19.22 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 104.71 -2.33 . . . . 0.0 104.71 176.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -142.03 153.28 44.12 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.257 0.551 . . . . 0.0 109.847 -176.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -143.4 139.16 29.84 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 126.239 1.816 . . . . 0.0 106.753 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 159.82 -167.5 35.33 Favored Glycine 0 CA--C 1.526 0.74 0 CA-C-O 119.327 -0.707 . . . . 0.0 111.677 -177.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -52.78 136.74 59.62 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 123.206 2.604 . . . . 0.0 111.032 172.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -61.0 -33.56 73.44 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.787 -0.571 . . . . 0.0 111.763 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -65.36 -43.66 90.11 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.111 0.869 . . . . 0.0 111.265 175.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.9 -43.16 99.54 Favored 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 123.003 0.521 . . . . 0.0 109.814 176.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 54.2 mt -63.55 -46.0 87.95 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-O 118.423 -0.799 . . . . 0.0 110.942 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -60.5 -43.72 96.75 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 120.179 1.354 . . . . 0.0 110.64 177.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.2 m -58.06 -39.56 78.79 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.033 0.444 . . . . 0.0 110.499 174.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -69.9 -33.86 72.76 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 117.313 -1.327 . . . . 0.0 111.428 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.0 t -62.02 -45.07 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-N 121.283 1.856 . . . . 0.0 108.889 169.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.76 -34.64 74.76 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.879 0.763 . . . . 0.0 111.221 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.8 -52.94 31.19 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.236 0.471 . . . . 0.0 111.321 171.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 19.2 t -61.11 -42.97 95.3 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 C-N-CA 124.715 1.206 . . . . 0.0 111.044 -173.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -65.03 -18.65 65.48 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.986 0.812 . . . . 0.0 112.839 -175.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -67.72 -27.17 66.58 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.864 0.756 . . . . 0.0 111.597 172.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.6 -174.2 35.94 Favored Glycine 0 CA--C 1.533 1.173 0 N-CA-C 109.086 -1.606 . . . . 0.0 109.086 -153.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 95.9 p -68.05 162.58 58.46 Favored Pre-proline 0 CA--C 1.537 0.457 0 O-C-N 120.895 -1.356 . . . . 0.0 107.627 157.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -58.06 -17.13 29.97 Favored 'Trans proline' 0 CA--C 1.544 1.009 0 C-N-CA 122.162 1.908 . . . . 0.0 113.391 167.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -85.82 -23.46 27.16 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.26 0.936 . . . . 0.0 111.898 173.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.3 m -74.61 172.61 11.74 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.936 0.894 . . . . 0.0 112.015 -177.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -139.29 101.72 4.32 Favored 'General case' 0 C--O 1.231 0.094 0 N-CA-C 105.36 -2.089 . . . . 0.0 105.36 158.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 66.6 t -64.01 135.94 27.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 167.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 69.1 p -115.62 -22.74 9.07 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.37 0.668 . . . . 0.0 110.756 174.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -156.61 154.47 30.24 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 124.443 1.097 . . . . 0.0 109.034 172.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.4 tt -147.73 146.21 18.28 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 C-N-CA 125.585 1.554 . . . . 0.0 107.963 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.9 m -138.3 147.2 43.32 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 125.796 1.638 . . . . 0.0 108.197 -176.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.0 t -138.3 143.68 32.23 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 124.231 1.012 . . . . 0.0 108.443 -173.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.2 m -137.39 112.25 8.93 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 105.894 -1.891 . . . . 0.0 105.894 171.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -71.18 160.9 32.01 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 168.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 63.5 m -156.6 164.09 38.59 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 124.818 1.247 . . . . 0.0 109.309 176.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 50.5 ttm-85 -140.32 58.94 1.57 Allowed 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 174.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.5 m -134.68 55.53 1.89 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 127.06 2.144 . . . . 0.0 106.326 178.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.6 mp -52.17 147.53 7.47 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 126.775 2.03 . . . . 0.0 113.103 -156.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -64.71 -33.79 76.8 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.661 1.184 . . . . 0.0 112.104 -176.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.98 14.04 54.62 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 123.79 0.71 . . . . 0.0 112.709 -173.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -79.48 166.21 22.22 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.714 1.206 . . . . 0.0 109.784 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -135.56 19.59 3.33 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.347 1.059 . . . . 0.0 111.248 -178.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -151.95 162.22 41.42 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 124.776 1.231 . . . . 0.0 109.117 176.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -106.12 152.89 22.84 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 170.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.1 m -138.28 156.28 47.8 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.105 0.562 . . . . 0.0 111.686 -174.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.3 mt -104.24 136.29 38.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 104.516 -2.402 . . . . 0.0 104.516 162.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 39.9 t . . . . . 0 CA--C 1.537 0.463 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 -176.479 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.0 mtt . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.786 0.327 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -143.33 177.82 8.16 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.728 1.611 . . . . 0.0 108.364 -178.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -152.9 154.93 36.06 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.124 1.369 . . . . 0.0 107.593 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -148.2 166.29 28.35 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 121.774 -0.579 . . . . 0.0 110.448 165.147 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 34.9 ttm-85 -115.1 140.73 48.82 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 105.645 -1.983 . . . . 0.0 105.645 160.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.0 mt -132.13 139.89 49.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 106.553 -1.647 . . . . 0.0 106.553 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.4 mm -117.45 141.3 36.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 N-CA-C 105.145 -2.169 . . . . 0.0 105.145 173.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.6 t -136.23 138.8 46.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 -176.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -136.76 153.16 50.92 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 125.192 1.397 . . . . 0.0 109.317 -171.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.15 -154.49 21.22 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 -178.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.6 ttp-105 -74.25 82.39 1.85 Allowed 'General case' 0 N--CA 1.461 0.077 0 N-CA-C 106.234 -1.765 . . . . 0.0 106.234 162.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.5 m -130.65 9.55 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 C-N-CA 123.65 0.78 . . . . 0.0 111.175 -174.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -134.37 149.88 50.87 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 173.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.5 18.44 79.4 Favored Glycine 0 CA--C 1.534 1.267 0 CA-C-O 119.693 -0.504 . . . . 0.0 112.699 -169.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.9 m -136.82 21.94 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 125.796 1.638 . . . . 0.0 110.749 -174.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 69.2 10.92 63.22 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 124.379 0.99 . . . . 0.0 114.158 175.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -63.2 -36.54 83.99 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.959 1.38 . . . . 0.0 112.655 -166.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.5 mtm180 -58.79 -40.57 84.43 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.927 1.24 . . . . 0.0 110.824 176.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -69.18 -39.22 78.85 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 118.259 0.482 . . . . 0.0 110.302 177.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -57.48 -52.87 63.62 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.718 0.69 . . . . 0.0 109.896 175.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.6 t -58.79 -41.13 81.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 C-N-CA 123.553 0.741 . . . . 0.0 109.743 178.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -56.89 -49.95 73.98 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 118.723 0.692 . . . . 0.0 110.968 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 96.8 mtp -72.11 -37.11 69.58 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 122.626 0.37 . . . . 0.0 110.481 -173.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -71.61 -28.03 63.52 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 118.426 0.557 . . . . 0.0 111.73 177.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.43 -44.56 64.61 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 119.207 0.912 . . . . 0.0 110.042 171.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -64.79 -43.97 91.49 Favored 'General case' 0 C--O 1.231 0.088 0 C-N-CA 123.903 0.881 . . . . 0.0 111.471 -175.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -25.2 66.93 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 118.623 0.647 . . . . 0.0 111.646 176.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.0 tpt85 -99.8 6.72 45.38 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.44 1.096 . . . . 0.0 111.674 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt 48.6 34.18 4.78 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.533 1.933 . . . . 0.0 112.922 -178.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 80.4 mt -73.8 165.56 24.9 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 121.828 -0.545 . . . . 0.0 109.545 172.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.69 147.15 50.73 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 124.14 0.976 . . . . 0.0 108.751 175.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 145.03 -156.43 26.93 Favored Glycine 0 CA--C 1.529 0.941 0 CA-C-N 117.948 0.34 . . . . 0.0 112.389 -169.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 1.8 p90 -143.25 167.29 22.48 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 117.82 0.81 . . . . 0.0 112.802 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.5 p -135.7 141.41 42.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 159.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -152.82 170.76 19.52 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.789 1.236 . . . . 0.0 111.435 -178.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 . . . . . 0 CA--C 1.538 0.499 0 C-N-CA 123.452 0.701 . . . . 0.0 109.719 162.633 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 . . . . . 0 N--CA 1.467 0.41 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.8 t -108.65 147.3 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 106.182 -1.784 . . . . 0.0 106.182 165.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -133.83 134.23 42.56 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.49 1.516 . . . . 0.0 107.055 -177.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 17.8 mt -130.9 146.48 33.91 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 N-CA-C 104.778 -2.305 . . . . 0.0 104.778 -172.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.1 tt -143.68 129.19 19.08 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 105.19 -2.152 . . . . 0.0 105.19 174.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -141.4 154.27 45.52 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.17 0.588 . . . . 0.0 109.894 -176.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -142.04 141.19 32.79 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 126.588 1.955 . . . . 0.0 107.103 178.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 161.95 -168.82 37.17 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-O 119.627 -0.541 . . . . 0.0 112.144 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -54.16 146.02 51.25 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 123.587 2.858 . . . . 0.0 111.86 171.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -59.77 -45.07 93.41 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.022 0.529 . . . . 0.0 110.575 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -62.86 -43.71 98.08 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.949 -0.469 . . . . 0.0 111.294 -178.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.98 -45.83 91.42 Favored 'General case' 0 C--N 1.34 0.157 0 C-N-CA 123.195 0.598 . . . . 0.0 110.401 175.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.2 mt -63.14 -40.53 97.84 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 118.32 -0.848 . . . . 0.0 110.982 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -63.51 -46.89 84.0 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 120.173 1.351 . . . . 0.0 110.903 177.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.8 m -57.6 -36.58 71.94 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.411 0.55 . . . . 0.0 110.915 174.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -70.51 -32.83 70.48 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 117.369 -1.3 . . . . 0.0 111.671 178.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.92 -45.23 99.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-N 121.257 1.844 . . . . 0.0 108.763 169.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.85 -34.44 74.59 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.673 0.67 . . . . 0.0 111.434 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.7 -53.19 29.62 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 122.908 0.483 . . . . 0.0 110.955 171.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.1 t -61.22 -43.66 96.88 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 C-N-CA 124.457 1.103 . . . . 0.0 110.939 -173.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -64.39 -18.54 64.79 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 119.032 0.833 . . . . 0.0 112.926 -176.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -69.32 -23.49 63.8 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.071 0.85 . . . . 0.0 111.835 174.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.57 -170.04 43.42 Favored Glycine 0 CA--C 1.534 1.231 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 -157.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 97.7 p -69.75 162.51 67.27 Favored Pre-proline 0 CA--C 1.539 0.544 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 157.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_exo -48.25 -25.54 7.14 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 123.493 2.795 . . . . 0.0 114.569 164.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -90.84 -18.86 24.13 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.066 0.946 . . . . 0.0 112.148 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.0 m -73.5 170.83 14.32 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.894 0.878 . . . . 0.0 112.007 -179.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -137.73 97.94 3.55 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 105.383 -2.08 . . . . 0.0 105.383 159.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.8 t -63.79 135.47 27.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 168.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.4 p -119.24 -18.78 8.55 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.845 0.858 . . . . 0.0 110.673 174.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -155.66 153.48 30.08 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 124.156 0.982 . . . . 0.0 109.456 171.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.2 tt -147.46 147.25 17.61 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 C-N-CA 125.809 1.644 . . . . 0.0 107.763 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.3 m -138.75 146.31 41.28 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 125.682 1.593 . . . . 0.0 108.037 -175.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 49.0 t -136.56 142.4 38.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 -173.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.6 m -136.63 92.78 2.79 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 177.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -63.61 139.67 58.79 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 173.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.7 m -145.41 165.97 26.98 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.683 1.593 . . . . 0.0 108.926 -170.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -144.81 22.29 1.6 Allowed 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.259 -0.901 . . . . 0.0 112.684 174.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.4 m -87.76 62.89 7.21 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 106.89 -1.522 . . . . 0.0 106.89 173.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.8 mt -52.09 144.45 12.16 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.305 1.442 . . . . 0.0 112.837 -158.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -63.22 -36.63 84.28 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.451 1.1 . . . . 0.0 112.033 -173.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.03 11.73 39.8 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 123.925 0.774 . . . . 0.0 112.984 -173.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -76.59 167.17 22.3 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.843 1.257 . . . . 0.0 109.532 178.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -128.21 10.28 6.3 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.185 0.994 . . . . 0.0 111.55 -178.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -147.2 166.32 27.37 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 124.698 1.199 . . . . 0.0 109.416 174.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -100.0 153.57 19.09 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 165.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.9 m -138.98 148.69 43.82 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.077 0.853 . . . . 0.0 112.623 -173.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 42.2 mt -90.84 130.69 39.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 N-CA-C 104.571 -2.381 . . . . 0.0 104.571 164.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 97.8 t . . . . . 0 CA--C 1.536 0.427 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 -174.483 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.486 1.329 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 56.2 mt -135.35 172.06 13.55 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 125.347 1.459 . . . . 0.0 108.379 177.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -134.95 148.39 50.02 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 126.324 1.85 . . . . 0.0 107.094 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -142.63 167.68 21.52 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.486 0.66 . . . . 0.0 111.112 162.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 25.2 ttt180 -126.03 134.63 51.37 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 104.963 -2.236 . . . . 0.0 104.963 166.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.1 mt -131.6 139.5 50.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 -173.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.9 mm -121.32 142.1 38.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 105.716 -1.957 . . . . 0.0 105.716 177.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.1 t -137.54 146.11 28.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -170.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -140.22 150.83 44.61 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 125.866 1.666 . . . . 0.0 108.993 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 139.17 -156.12 24.29 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.701 -0.959 . . . . 0.0 110.701 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -72.94 87.47 1.33 Allowed 'General case' 0 N--CA 1.462 0.142 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 164.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.7 m -129.32 15.75 2.58 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 124.767 1.227 . . . . 0.0 110.718 178.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.6 mp0 -137.81 161.86 35.47 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 126.389 1.876 . . . . 0.0 107.075 164.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.7 13.25 71.53 Favored Glycine 0 CA--C 1.537 1.407 0 N-CA-C 111.698 -0.561 . . . . 0.0 111.698 -165.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.4 m -146.83 154.35 12.09 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 128.055 2.542 . . . . 0.0 105.815 -178.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.37 36.12 2.21 Favored Glycine 0 CA--C 1.528 0.879 0 C-N-CA 123.83 0.729 . . . . 0.0 113.407 -171.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -63.19 -34.31 77.36 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.946 1.373 . . . . 0.0 112.41 -168.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.424 ' NH2' ' H ' ' A' ' 36' ' ' ASN . 56.3 mtt-85 -54.53 -48.69 71.67 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.106 0.866 . . . . 0.0 110.368 173.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -67.76 -41.34 83.49 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.347 0.659 . . . . 0.0 110.371 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -56.59 -54.13 49.55 Favored 'General case' 0 C--N 1.341 0.213 0 C-N-CA 123.024 0.53 . . . . 0.0 109.895 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.9 t -60.94 -41.45 88.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 123.5 0.72 . . . . 0.0 109.811 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -56.16 -50.12 72.04 Favored 'General case' 0 C--N 1.342 0.262 0 CA-C-N 118.754 0.706 . . . . 0.0 110.789 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.2 mmt -78.17 -32.81 50.35 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 119.2 -0.428 . . . . 0.0 110.778 -172.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -67.18 -31.98 72.76 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.696 0.68 . . . . 0.0 111.315 174.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.12 -45.8 62.91 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 119.026 0.83 . . . . 0.0 110.506 172.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -64.43 -44.23 91.82 Favored 'General case' 0 C--O 1.23 0.07 0 C-N-CA 123.613 0.765 . . . . 0.0 111.517 -174.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -18.29 64.83 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.727 -0.608 . . . . 0.0 112.211 177.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -104.37 10.82 35.24 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.649 1.18 . . . . 0.0 111.186 176.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.4 mttm 49.56 33.93 6.4 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.927 2.091 . . . . 0.0 113.195 178.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.6 mt -75.38 165.56 24.95 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 171.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -134.15 150.42 51.11 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.553 1.141 . . . . 0.0 108.434 172.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 144.24 -150.98 23.06 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -167.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -146.38 166.98 24.72 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 118.436 1.118 . . . . 0.0 113.275 179.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.2 p -131.99 140.76 47.2 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 C-N-CA 124.372 1.069 . . . . 0.0 108.146 160.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 44.4 pttt -152.93 150.51 29.34 Favored 'General case' 0 CA--C 1.523 -0.07 0 C-N-CA 124.191 0.996 . . . . 0.0 109.319 175.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.424 ' H ' ' NH2' ' A' ' 18' ' ' ARG . 2.9 p-10 . . . . . 0 C--O 1.232 0.175 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 161.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.201 0 CA-C-O 121.742 0.782 . . . . 0.0 109.43 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.5 t -119.67 148.64 22.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 106.498 -1.667 . . . . 0.0 106.498 173.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -124.71 138.95 54.26 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 125.473 1.509 . . . . 0.0 107.511 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.5 mt -130.88 141.77 45.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 N-CA-C 104.421 -2.437 . . . . 0.0 104.421 176.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.0 tt -142.67 126.94 17.59 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 105.119 -2.178 . . . . 0.0 105.119 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -143.7 152.15 40.95 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 118.656 0.662 . . . . 0.0 110.412 -173.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -142.71 144.43 32.69 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 125.993 1.717 . . . . 0.0 108.193 177.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 158.47 -164.88 33.72 Favored Glycine 0 CA--C 1.533 1.187 0 CA-C-O 119.657 -0.524 . . . . 0.0 112.444 -175.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -56.21 137.84 81.13 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 124.164 3.243 . . . . 0.0 111.939 173.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -59.82 -32.2 70.43 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.243 -0.911 . . . . 0.0 112.644 -175.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -73.39 -27.46 61.48 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.35 -0.844 . . . . 0.0 111.498 176.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.83 -40.46 61.04 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 178.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.9 mp -58.48 -48.98 78.99 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 118.89 -0.576 . . . . 0.0 110.569 172.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -61.49 -46.48 89.84 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.285 0.948 . . . . 0.0 111.193 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.7 m -55.79 -40.44 72.68 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 121.32 0.581 . . . . 0.0 110.535 175.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -72.64 -30.06 63.99 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-O 117.0 -1.476 . . . . 0.0 111.543 -178.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.7 t -64.18 -44.28 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 121.652 2.023 . . . . 0.0 108.583 168.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -59.99 -34.0 72.72 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.246 0.93 . . . . 0.0 111.171 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.34 -56.0 10.07 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 122.866 0.466 . . . . 0.0 111.375 170.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.1 t -60.55 -42.3 90.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 124.755 1.222 . . . . 0.0 111.16 -172.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -64.54 -21.73 66.77 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.759 0.709 . . . . 0.0 112.364 -175.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -71.47 -28.84 64.22 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.602 0.637 . . . . 0.0 111.366 173.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.9 -176.94 35.71 Favored Glycine 0 CA--C 1.534 1.23 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 -155.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.82 157.17 61.56 Favored Pre-proline 0 CA--C 1.541 0.631 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 158.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -46.21 -34.9 14.4 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 123.436 2.757 . . . . 0.0 114.461 168.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -79.17 -26.92 42.66 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.752 0.821 . . . . 0.0 112.761 176.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.0 m -71.23 173.18 8.05 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.599 1.159 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -145.56 99.07 3.23 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 106.088 -1.819 . . . . 0.0 106.088 167.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 67.8 t -65.22 135.14 28.77 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 167.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.1 p -120.01 -18.88 8.04 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.812 0.845 . . . . 0.0 110.774 175.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -153.8 149.52 27.5 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 124.503 1.121 . . . . 0.0 109.059 170.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.1 tt -147.36 145.21 19.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 125.504 1.522 . . . . 0.0 107.733 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 67.4 m -136.7 149.93 48.17 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 126.188 1.795 . . . . 0.0 108.229 -178.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.9 t -140.77 145.02 26.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 124.186 0.994 . . . . 0.0 108.679 -171.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.1 m -134.55 119.77 18.84 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 105.584 -2.006 . . . . 0.0 105.584 165.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -103.11 154.64 19.08 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 123.885 0.874 . . . . 0.0 109.362 177.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.1 m -164.73 175.19 9.92 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.334 1.454 . . . . 0.0 109.918 -171.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -122.33 23.9 9.57 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.469 1.108 . . . . 0.0 109.761 170.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.7 m -82.47 70.0 9.34 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 125.721 1.608 . . . . 0.0 107.027 175.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 23.2 mt -63.45 138.01 58.36 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.23 -165.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -74.01 -39.0 63.9 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 122.993 0.517 . . . . 0.0 111.63 -172.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 62.17 27.71 69.51 Favored Glycine 0 CA--C 1.536 1.363 0 N-CA-C 111.729 -0.548 . . . . 0.0 111.729 -167.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -65.78 146.31 54.93 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 117.881 0.84 . . . . 0.0 109.535 -176.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -70.79 -29.11 65.2 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -172.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -158.48 177.71 10.94 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 126.157 1.783 . . . . 0.0 108.328 -175.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -86.37 141.08 29.45 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 160.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.3 m -134.24 152.74 51.98 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 119.616 1.098 . . . . 0.0 112.431 -170.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 26.0 mt -94.59 125.36 47.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 104.403 -2.443 . . . . 0.0 104.403 167.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 73.5 t . . . . . 0 CA--C 1.537 0.449 0 C-N-CA 123.915 0.886 . . . . 0.0 108.752 -169.103 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 mmt . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.83 0.348 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -142.08 175.16 9.96 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 125.737 1.615 . . . . 0.0 108.083 177.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -152.75 149.98 28.93 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 123.335 0.654 . . . . 0.0 109.385 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -144.59 169.83 17.22 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 123.438 0.695 . . . . 0.0 111.181 169.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -128.33 137.41 51.92 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 105.769 -1.938 . . . . 0.0 105.769 168.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.7 mt -134.22 136.68 52.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 -177.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.6 mp -117.55 140.12 41.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 N-CA-C 104.961 -2.237 . . . . 0.0 104.961 176.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.7 t -136.85 139.38 44.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 N-CA-C 107.316 -1.365 . . . . 0.0 107.316 -170.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -141.27 152.93 44.92 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 125.108 1.363 . . . . 0.0 109.442 -176.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.95 -156.81 22.71 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 109.419 -1.472 . . . . 0.0 109.419 -174.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -72.07 82.56 0.97 Allowed 'General case' 0 C--O 1.227 -0.129 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 164.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.5 m -132.48 -14.73 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 124.774 1.23 . . . . 0.0 111.014 173.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -98.53 -28.05 13.76 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 121.182 -0.949 . . . . 0.0 111.274 -178.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.48 11.29 61.69 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 124.144 0.878 . . . . 0.0 112.457 176.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.0 m -141.92 163.72 19.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 C-N-CA 127.213 2.205 . . . . 0.0 106.808 -177.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.51 35.55 2.02 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 124.121 0.867 . . . . 0.0 113.617 -173.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -56.1 -37.14 68.97 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 118.941 1.371 . . . . 0.0 112.257 -171.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.4 mtm-85 -58.86 -35.41 72.92 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.213 -0.929 . . . . 0.0 111.396 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -72.5 -39.71 67.42 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.539 0.609 . . . . 0.0 110.626 175.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -57.0 -50.06 73.88 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.843 0.747 . . . . 0.0 109.711 175.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.2 t -58.48 -43.0 85.9 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 123.894 0.878 . . . . 0.0 109.848 177.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.38 -51.18 69.29 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-N 119.444 1.02 . . . . 0.0 110.611 178.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 77.1 mtm -70.67 -37.85 73.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 119.516 -0.278 . . . . 0.0 110.589 -173.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -68.3 -33.0 73.54 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.328 0.513 . . . . 0.0 111.573 178.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.38 -44.17 68.58 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 118.75 0.705 . . . . 0.0 110.561 173.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -65.39 -45.01 85.71 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 123.838 0.855 . . . . 0.0 111.357 -175.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -15.84 62.8 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 121.729 -0.607 . . . . 0.0 112.452 176.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -107.18 12.0 28.82 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.776 1.23 . . . . 0.0 111.155 175.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt 49.66 34.74 7.61 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.937 2.095 . . . . 0.0 113.367 177.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.1 mt -75.46 168.15 20.55 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 121.909 -0.494 . . . . 0.0 109.726 172.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -137.67 151.88 48.72 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 124.414 1.085 . . . . 0.0 109.145 173.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 140.88 -149.01 20.67 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -173.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 3.7 p90 -137.28 163.08 31.8 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -178.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.1 p -131.75 139.46 50.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 N-CA-C 106.333 -1.728 . . . . 0.0 106.333 159.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -153.29 162.08 41.68 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 122.951 0.5 . . . . 0.0 112.064 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.9 t30 . . . . . 0 C--O 1.234 0.257 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 159.682 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? . . . . . 0 N--CA 1.464 0.233 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.2 t -96.3 145.6 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 106.391 -1.707 . . . . 0.0 106.391 166.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -128.18 141.82 51.36 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 125.857 1.663 . . . . 0.0 107.223 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 27.8 mt -131.66 140.75 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 N-CA-C 104.32 -2.474 . . . . 0.0 104.32 -177.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.8 tt -144.18 119.96 10.54 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 105.523 -2.029 . . . . 0.0 105.523 174.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -141.05 141.97 34.23 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 121.284 0.564 . . . . 0.0 111.021 -173.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -110.68 144.4 39.67 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 128.191 2.596 . . . . 0.0 107.359 174.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 169.85 -174.43 44.05 Favored Glycine 0 CA--C 1.527 0.812 0 CA-C-O 119.615 -0.547 . . . . 0.0 112.461 172.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -69.89 153.88 67.84 Favored 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 122.282 1.988 . . . . 0.0 110.108 172.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -57.65 -46.94 83.55 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.548 0.739 . . . . 0.0 111.62 -168.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -74.0 -29.19 61.83 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 119.18 0.9 . . . . 0.0 112.42 -174.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.89 -45.23 90.28 Favored 'General case' 0 CA--C 1.527 0.091 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 171.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 51.7 mt -62.65 -42.79 99.8 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 118.421 -0.8 . . . . 0.0 110.832 177.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -57.89 -49.76 75.63 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 119.885 1.22 . . . . 0.0 110.411 175.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.2 m -56.51 -40.2 74.6 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.064 0.546 . . . . 0.0 110.105 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -70.6 -32.43 69.8 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-O 117.17 -1.395 . . . . 0.0 111.507 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.69 -45.07 99.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-N 121.597 1.998 . . . . 0.0 109.02 169.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -59.36 -38.3 80.08 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.924 0.784 . . . . 0.0 110.565 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.54 -50.97 61.4 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.054 0.542 . . . . 0.0 111.335 173.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.7 t -64.16 -44.06 97.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 124.176 0.99 . . . . 0.0 110.823 -173.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.1 pttt -65.41 -24.34 67.18 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 119.118 0.872 . . . . 0.0 112.307 -175.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -67.79 -27.55 66.84 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.338 0.517 . . . . 0.0 111.389 173.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.37 -175.65 36.07 Favored Glycine 0 CA--C 1.534 1.233 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 -155.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 91.1 p -66.14 161.59 54.9 Favored Pre-proline 0 CA--C 1.539 0.528 0 O-C-N 121.054 -1.262 . . . . 0.0 108.355 161.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_exo -46.95 -27.16 5.55 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 123.458 2.772 . . . . 0.0 114.62 163.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -85.29 -24.25 27.79 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.64 0.776 . . . . 0.0 111.937 177.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.9 m -73.32 171.66 12.64 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.832 0.853 . . . . 0.0 112.257 -176.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -141.79 98.47 3.35 Favored 'General case' 0 C--N 1.334 -0.073 0 N-CA-C 105.704 -1.961 . . . . 0.0 105.704 159.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.4 t -64.71 135.68 27.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 107.1 -1.444 . . . . 0.0 107.1 169.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.5 p -120.28 -17.81 8.15 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.883 0.873 . . . . 0.0 110.926 174.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -153.26 146.93 25.11 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.317 1.047 . . . . 0.0 109.14 171.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.0 tt -147.41 142.55 19.94 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 125.463 1.505 . . . . 0.0 107.519 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.2 m -138.71 154.62 48.59 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 125.498 1.519 . . . . 0.0 108.819 -178.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 50.8 t -137.0 146.14 28.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 C-N-CA 124.265 1.026 . . . . 0.0 109.099 -169.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -134.34 153.1 52.07 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 127.602 2.361 . . . . 0.0 105.568 171.231 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -127.2 152.45 47.35 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.662 1.119 . . . . 0.0 108.882 -177.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.1 p -148.26 165.65 30.35 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.967 0.907 . . . . 0.0 110.189 -177.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 49.0 mtm105 -136.37 47.4 2.2 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 105.953 -1.869 . . . . 0.0 105.953 176.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.7 m -134.66 36.96 3.11 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.401 -152.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.6 mp -24.17 109.88 0.03 OUTLIER 'General case' 0 C--O 1.235 0.327 0 C-N-CA 129.977 3.311 . . . . 0.0 112.79 -170.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -56.8 -33.31 66.56 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.505 1.122 . . . . 0.0 111.331 176.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 61.24 28.06 68.56 Favored Glycine 0 CA--C 1.532 1.129 0 C-N-CA 124.174 0.892 . . . . 0.0 111.95 -174.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -65.96 150.72 48.19 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.535 0.734 . . . . 0.0 110.254 -174.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -67.84 -30.22 69.55 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.37 0.508 . . . . 0.0 112.37 -174.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -159.34 -175.24 5.1 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 126.108 1.763 . . . . 0.0 107.906 -177.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -93.43 129.47 39.59 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 117.371 -1.3 . . . . 0.0 107.563 164.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 27.1 m -132.57 143.85 49.99 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 120.113 1.324 . . . . 0.0 113.043 -170.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 8.9 mt -80.3 137.08 22.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 N-CA-C 105.577 -2.009 . . . . 0.0 105.577 168.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 47.5 t . . . . . 0 CA--C 1.534 0.341 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 -178.54 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 mmt . . . . . 0 N--CA 1.485 1.321 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 59.8 mt -137.18 177.06 8.16 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 125.232 1.413 . . . . 0.0 108.374 175.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -139.33 153.03 47.65 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 125.479 1.511 . . . . 0.0 108.05 175.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -141.18 166.29 25.19 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 122.796 0.438 . . . . 0.0 110.61 161.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.5 ttm-85 -121.75 139.34 53.71 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 105.73 -1.952 . . . . 0.0 105.73 163.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.3 mt -132.98 136.81 54.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 105.963 -1.866 . . . . 0.0 105.963 -177.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.1 mm -110.66 141.24 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 174.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.8 t -136.54 137.24 47.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 -175.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -139.18 152.23 47.22 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 125.141 1.376 . . . . 0.0 108.68 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 138.91 -156.39 24.29 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 -174.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -74.2 77.26 1.79 Allowed 'General case' 0 C--O 1.232 0.157 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 167.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.7 m -134.82 -0.31 1.14 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 124.468 1.107 . . . . 0.0 111.387 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -124.58 -23.93 4.3 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.991 0.916 . . . . 0.0 111.849 -174.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.17 5.38 77.0 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 123.593 0.616 . . . . 0.0 111.972 166.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.9 m -142.91 161.91 17.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 C-N-CA 127.023 2.129 . . . . 0.0 107.424 -176.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.47 41.46 2.68 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 124.63 1.11 . . . . 0.0 113.627 -171.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -52.65 -37.81 59.22 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 118.872 1.336 . . . . 0.0 112.19 -174.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.4 mtm-85 -53.83 -37.16 63.3 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.519 0.728 . . . . 0.0 111.805 177.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -69.49 -43.2 73.65 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 119.255 0.934 . . . . 0.0 110.709 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -59.87 -46.26 89.88 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-N 118.716 0.689 . . . . 0.0 110.103 177.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.4 t -59.29 -43.74 90.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 123.063 0.545 . . . . 0.0 109.938 175.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -56.14 -47.71 77.65 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 118.717 0.69 . . . . 0.0 110.689 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 36.7 mmt -74.05 -36.24 64.35 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 122.456 0.302 . . . . 0.0 110.626 -173.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -68.96 -30.43 68.87 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.463 0.574 . . . . 0.0 111.656 176.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.42 -43.76 63.39 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 118.975 0.807 . . . . 0.0 110.369 172.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -64.73 -40.93 96.16 Favored 'General case' 0 C--O 1.229 0.021 0 C-N-CA 123.821 0.848 . . . . 0.0 111.565 -176.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -15.82 63.94 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.171 0.896 . . . . 0.0 112.547 176.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.7 mmm-85 -100.8 0.14 38.16 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.02 0.928 . . . . 0.0 111.917 170.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt 42.3 43.43 2.96 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.279 1.832 . . . . 0.0 112.136 -169.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.58 166.83 14.15 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 164.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -132.51 152.22 51.64 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 123.957 0.903 . . . . 0.0 108.922 175.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 137.88 -153.49 22.23 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.652 -0.579 . . . . 0.0 111.652 -169.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.0 p90 -138.47 163.75 31.14 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 117.945 0.872 . . . . 0.0 112.446 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.3 p -128.1 143.24 41.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 154.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -153.19 161.6 42.25 Favored 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 123.094 0.558 . . . . 0.0 111.97 -176.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.4 t30 . . . . . 0 C--O 1.234 0.241 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 156.865 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? . . . . . 0 C--O 1.234 0.252 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.0 t -95.62 144.76 9.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 105.619 -1.993 . . . . 0.0 105.619 166.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -123.11 137.7 54.85 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 106.944 -1.502 . . . . 0.0 106.944 172.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.6 mt -119.92 142.07 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.675 0 N-CA-C 104.213 -2.514 . . . . 0.0 104.213 173.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.7 tt -142.95 121.92 12.8 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 104.97 -2.233 . . . . 0.0 104.97 173.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -138.76 148.38 43.79 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.039 0.535 . . . . 0.0 109.805 -175.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -124.39 153.25 42.16 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 125.525 1.53 . . . . 0.0 108.78 169.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.67 -170.21 36.55 Favored Glycine 0 CA--C 1.528 0.903 0 CA-C-O 119.758 -0.468 . . . . 0.0 112.543 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -56.48 149.32 57.77 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 124.022 3.148 . . . . 0.0 111.639 170.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -59.71 -44.57 93.64 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.1 0.56 . . . . 0.0 110.869 -179.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -62.64 -42.8 99.8 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 118.507 0.594 . . . . 0.0 111.275 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.32 -45.34 88.32 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 122.685 0.394 . . . . 0.0 110.084 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.0 mt -62.81 -47.12 84.82 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.378 0.671 . . . . 0.0 110.571 178.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -61.22 -45.32 95.06 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.287 0.949 . . . . 0.0 110.552 179.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.6 m -59.7 -36.66 76.96 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.585 0.354 . . . . 0.0 110.723 176.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -71.58 -32.15 67.75 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 117.807 -1.092 . . . . 0.0 111.411 178.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.2 t -62.46 -44.67 99.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-N 120.944 1.702 . . . . 0.0 109.153 168.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -61.0 -35.06 75.85 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 118.53 0.604 . . . . 0.0 111.193 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.49 -53.98 34.84 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.994 0.518 . . . . 0.0 110.709 171.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 38.3 t -60.52 -42.93 93.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 124.146 0.979 . . . . 0.0 111.03 -174.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -67.03 -14.47 62.93 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.188 0.903 . . . . 0.0 112.852 -177.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -64.15 -27.83 69.35 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 119.469 1.031 . . . . 0.0 111.178 170.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.83 -128.65 8.97 Favored Glycine 0 C--N 1.336 0.537 0 N-CA-C 105.461 -3.055 . . . . 0.0 105.461 -151.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 68.0 m -154.32 169.23 10.4 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 172.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_exo -47.49 -22.69 2.92 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 123.591 2.861 . . . . 0.0 115.071 170.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -134.74 32.91 3.24 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.187 1.395 . . . . 0.0 111.105 176.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.7 m -151.34 150.84 30.96 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 120.321 -1.487 . . . . 0.0 110.151 172.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -133.97 103.23 5.73 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 -177.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.5 p -61.63 138.12 22.68 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 161.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.8 p -123.77 -13.73 7.37 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.24 1.016 . . . . 0.0 110.798 170.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -151.45 144.15 24.36 Favored 'General case' 0 C--N 1.342 0.241 0 C-N-CA 124.605 1.162 . . . . 0.0 109.271 171.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 19.2 tt -143.57 146.33 21.3 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 125.2 1.4 . . . . 0.0 108.32 -176.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.9 m -139.11 151.65 46.86 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 125.516 1.526 . . . . 0.0 108.33 177.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 50.3 t -140.82 145.47 25.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 124.267 1.027 . . . . 0.0 109.059 -172.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.3 m -134.96 129.74 34.7 Favored 'General case' 0 CA--C 1.528 0.127 0 N-CA-C 105.805 -1.924 . . . . 0.0 105.805 160.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.09 149.09 26.14 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 172.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.78 137.35 25.04 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 -163.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.5 51.2 2.05 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 174.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.8 m -143.43 82.7 1.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 125.023 1.329 . . . . 0.0 108.092 -158.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.0 mp -62.78 145.86 53.89 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.21 0.604 . . . . 0.0 109.885 -179.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -84.81 -24.89 28.47 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.703 1.201 . . . . 0.0 110.831 171.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 64.54 29.31 74.8 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 123.911 0.767 . . . . 0.0 112.629 -177.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.77 168.85 17.94 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.011 0.905 . . . . 0.0 109.696 171.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 58.9 m80 -125.99 0.55 7.26 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.172 0.989 . . . . 0.0 112.211 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -150.08 168.94 22.45 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 125.481 1.512 . . . . 0.0 108.435 172.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -91.78 148.29 22.35 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 162.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.1 m -137.95 159.2 42.64 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 118.993 0.815 . . . . 0.0 111.79 -172.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 24.3 mt -104.34 134.15 46.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 104.359 -2.46 . . . . 0.0 104.359 166.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 52.0 t . . . . . 0 CA--C 1.533 0.289 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 -175.613 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.9 mtt . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 121.095 0.474 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 63.9 tp -135.17 166.74 22.39 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.33 1.852 . . . . 0.0 107.591 -173.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -139.05 151.59 46.89 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 124.643 1.177 . . . . 0.0 108.429 177.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -141.23 167.18 22.81 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.356 0.598 . . . . 0.0 110.988 165.098 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.7 ttt180 -126.91 134.67 50.4 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 105.42 -2.067 . . . . 0.0 105.42 168.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.4 mt -132.81 141.84 43.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 106.487 -1.671 . . . . 0.0 106.487 -176.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.6 mm -122.01 142.55 37.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 105.527 -2.027 . . . . 0.0 105.527 174.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.1 t -131.2 121.56 49.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 -177.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -99.61 135.85 40.42 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 126.166 1.786 . . . . 0.0 107.093 174.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.49 -174.28 38.86 Favored Glycine 0 C--N 1.334 0.447 0 CA-C-N 118.434 0.561 . . . . 0.0 113.003 -179.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -70.17 100.89 1.75 Allowed 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 104.979 -2.23 . . . . 0.0 104.979 153.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.3 m -141.89 -29.01 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -178.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -79.58 -51.84 8.77 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 120.803 -1.186 . . . . 0.0 111.207 -170.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.76 -32.07 70.42 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.82 -0.512 . . . . 0.0 111.82 -175.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.2 m -73.66 -6.68 8.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 124.581 1.152 . . . . 0.0 112.182 174.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.65 35.29 62.52 Favored Glycine 0 C--N 1.34 0.778 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.259 174.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -49.68 -39.32 36.2 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 118.48 1.14 . . . . 0.0 111.6 -179.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.2 ptt-85 -50.21 -33.62 20.05 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 177.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -72.38 -41.0 66.82 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 119.9 1.227 . . . . 0.0 110.149 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -61.18 -46.58 89.89 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 174.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.4 t -57.83 -43.96 85.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 123.295 0.638 . . . . 0.0 109.893 176.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -56.8 -49.94 73.84 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-N 118.612 0.642 . . . . 0.0 110.393 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 64.9 mtt -70.38 -37.96 74.65 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.735 -0.212 . . . . 0.0 110.509 -174.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -68.94 -32.75 72.58 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.213 0.46 . . . . 0.0 111.618 178.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.6 -45.07 69.44 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 118.836 0.744 . . . . 0.0 110.33 172.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -64.22 -45.48 88.04 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 123.836 0.855 . . . . 0.0 111.329 -175.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -21.39 66.54 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 118.558 0.617 . . . . 0.0 112.213 177.488 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.0 tpt85 -100.33 8.78 43.46 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.212 1.005 . . . . 0.0 111.388 176.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.4 mttt 49.01 35.07 6.25 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.741 2.016 . . . . 0.0 113.155 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.7 mt -73.4 165.42 25.11 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 170.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -134.09 148.11 50.97 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.196 0.998 . . . . 0.0 109.155 176.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 139.17 -151.46 21.82 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 -168.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 16.6 p90 -142.38 166.34 24.94 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 118.148 0.974 . . . . 0.0 112.995 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.1 p -129.17 147.17 33.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 159.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -147.7 155.73 42.04 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.813 0.845 . . . . 0.0 111.073 -177.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 . . . . . 0 C--O 1.237 0.433 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 161.736 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 . . . . . 0 C--O 1.237 0.414 0 CA-C-O 122.153 0.978 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.1 t -116.55 148.83 19.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 105.067 -2.197 . . . . 0.0 105.067 162.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -131.87 140.72 49.19 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 -177.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.5 mt -135.03 140.28 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 N-CA-C 104.417 -2.438 . . . . 0.0 104.417 -169.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.9 tt -145.47 119.82 9.61 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 105.156 -2.165 . . . . 0.0 105.156 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -140.85 146.74 37.93 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 122.867 0.467 . . . . 0.0 110.311 -170.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -123.94 142.06 51.48 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 127.497 2.319 . . . . 0.0 106.898 176.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 171.27 -171.75 44.12 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.764 -0.534 . . . . 0.0 111.764 176.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -69.31 151.03 71.64 Favored 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 122.31 2.007 . . . . 0.0 109.726 169.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -59.42 -38.57 80.98 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.407 0.683 . . . . 0.0 111.522 -173.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -63.9 -43.88 94.67 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.075 0.852 . . . . 0.0 111.69 -178.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.0 -44.52 92.41 Favored 'General case' 0 C--N 1.339 0.126 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 176.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.1 mt -62.28 -45.48 93.07 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 118.868 -0.587 . . . . 0.0 110.843 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -63.86 -43.65 95.47 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 119.754 1.161 . . . . 0.0 110.713 178.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.6 m -57.57 -39.59 77.08 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.201 0.524 . . . . 0.0 110.383 174.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -70.33 -31.34 68.6 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 117.249 -1.358 . . . . 0.0 111.577 178.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.3 t -62.3 -45.22 99.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 121.448 1.931 . . . . 0.0 108.828 168.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -60.85 -35.72 77.3 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.732 0.696 . . . . 0.0 111.061 -179.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.28 -51.72 54.61 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.204 0.457 . . . . 0.0 111.345 171.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.1 t -63.47 -42.64 96.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 124.342 1.057 . . . . 0.0 111.106 -172.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -64.08 -18.83 64.76 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 119.288 0.949 . . . . 0.0 112.835 -175.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -67.42 -27.43 67.06 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.651 0.659 . . . . 0.0 111.77 173.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.22 -172.9 33.31 Favored Glycine 0 CA--C 1.534 1.264 0 N-CA-C 109.295 -1.522 . . . . 0.0 109.295 -154.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 80.1 p -67.42 162.16 58.56 Favored Pre-proline 0 CA--C 1.539 0.551 0 O-C-N 120.766 -1.432 . . . . 0.0 108.251 160.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.3 -2.39 1.3 Allowed 'Trans proline' 0 CA--C 1.546 1.084 0 C-N-CA 123.163 2.575 . . . . 0.0 114.546 167.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -113.84 -11.51 12.85 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.98 1.312 . . . . 0.0 111.675 174.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.6 m -72.99 171.16 13.35 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.79 0.836 . . . . 0.0 111.335 177.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -139.08 94.52 2.82 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 105.467 -2.049 . . . . 0.0 105.467 165.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.4 t -64.96 133.5 30.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 172.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.2 p -116.82 -20.32 9.51 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.803 1.241 . . . . 0.0 111.01 176.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -159.08 160.78 36.15 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 119.29 0.95 . . . . 0.0 109.429 164.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.8 tt -142.92 145.87 22.45 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 C-N-CA 125.365 1.466 . . . . 0.0 108.042 177.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.5 m -138.0 146.75 43.48 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 125.494 1.518 . . . . 0.0 108.186 -174.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.1 t -140.77 145.41 25.52 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 C-N-CA 124.144 0.978 . . . . 0.0 109.107 -172.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.3 m -132.97 139.27 47.2 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 105.62 -1.992 . . . . 0.0 105.62 162.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -119.26 142.02 48.44 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.71 134.0 20.63 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 -164.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 97.1 mtt-85 -86.44 53.99 3.0 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 168.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.8 m -138.18 96.17 3.14 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 -165.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.31 144.78 49.83 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -173.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -87.0 -19.63 28.42 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.705 1.202 . . . . 0.0 110.722 169.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 65.12 16.26 61.91 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.461 1.029 . . . . 0.0 112.903 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -72.32 162.97 28.74 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.119 0.968 . . . . 0.0 110.174 178.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -131.64 9.93 4.69 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.491 1.116 . . . . 0.0 111.451 -179.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -148.37 165.24 31.67 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 125.283 1.433 . . . . 0.0 108.114 174.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -96.45 150.75 20.26 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 162.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 55.0 m -137.53 161.35 36.62 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.648 0.779 . . . . 0.0 111.621 -175.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 30.5 mt -109.66 136.52 45.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 N-CA-C 105.114 -2.18 . . . . 0.0 105.114 166.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 95.5 t . . . . . 0 CA--C 1.537 0.463 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 -172.963 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 80.7 mmm . . . . . 0 N--CA 1.482 1.128 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 62.2 tp -150.8 166.64 29.89 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.163 1.385 . . . . 0.0 108.394 -169.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -137.04 151.73 49.27 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.856 1.263 . . . . 0.0 107.962 176.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -140.57 164.28 30.59 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.134 0.493 . . . . 0.0 110.699 161.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.4 ttm-85 -115.11 140.29 49.19 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 105.554 -2.017 . . . . 0.0 105.554 160.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.8 mt -131.65 137.33 55.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 23.0 mm -113.57 141.6 28.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 105.358 -2.09 . . . . 0.0 105.358 175.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.7 t -136.82 139.62 44.41 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 -177.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -141.02 153.67 45.64 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 125.092 1.357 . . . . 0.0 109.657 -174.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.75 -156.34 22.06 Favored Glycine 0 CA--C 1.523 0.575 0 C-N-CA 125.586 1.565 . . . . 0.0 109.442 -175.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.5 ttt85 -72.1 83.6 0.99 Allowed 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 162.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.6 m -135.87 9.63 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 123.301 0.64 . . . . 0.0 112.235 -173.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -133.28 152.68 51.94 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 169.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.18 18.56 79.29 Favored Glycine 0 CA--C 1.535 1.288 0 CA-C-O 119.582 -0.565 . . . . 0.0 112.765 -171.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.2 m -137.08 23.59 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 C-N-CA 125.39 1.476 . . . . 0.0 110.89 -172.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 70.87 5.26 57.19 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 124.319 0.961 . . . . 0.0 114.161 175.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -61.83 -36.15 80.33 Favored 'General case' 0 C--N 1.339 0.118 0 CA-C-N 119.04 1.42 . . . . 0.0 112.531 -168.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -58.7 -40.39 83.51 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.55 1.068 . . . . 0.0 110.962 177.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -72.2 -37.56 69.24 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-O 118.913 -0.565 . . . . 0.0 110.616 177.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -57.41 -51.84 67.78 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.997 0.817 . . . . 0.0 109.728 175.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.2 t -58.76 -42.7 86.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 123.969 0.908 . . . . 0.0 109.671 177.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -56.73 -50.33 72.53 Favored 'General case' 0 C--N 1.342 0.252 0 CA-C-N 119.007 0.821 . . . . 0.0 111.097 179.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.0 mmt -73.62 -36.23 65.43 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 -172.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -68.59 -30.49 69.25 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 119.029 -0.51 . . . . 0.0 111.57 176.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.37 -43.88 63.35 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 118.955 0.798 . . . . 0.0 110.631 172.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -65.3 -45.48 84.2 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 123.917 0.887 . . . . 0.0 111.352 -175.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -14.94 54.76 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 118.535 0.607 . . . . 0.0 112.602 176.019 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.8 tpt85 -110.94 12.35 22.19 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.833 1.253 . . . . 0.0 111.071 178.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt 51.24 31.7 7.21 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.526 1.93 . . . . 0.0 113.236 176.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.9 mt -76.08 167.36 22.01 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.716 -0.615 . . . . 0.0 109.786 174.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.51 152.78 50.9 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 124.58 1.152 . . . . 0.0 109.019 171.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 141.28 -155.93 25.4 Favored Glycine 0 CA--C 1.532 1.108 0 CA-C-O 119.415 -0.658 . . . . 0.0 111.616 -166.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.7 p90 -140.19 164.07 31.04 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 118.544 1.172 . . . . 0.0 113.135 -177.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.7 p -132.92 137.91 52.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 C-N-CA 124.028 0.931 . . . . 0.0 108.799 159.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -161.62 174.58 13.11 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.839 1.256 . . . . 0.0 111.545 -173.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 44.6 t30 . . . . . 0 CA--C 1.537 0.462 0 O-C-N 121.634 -0.666 . . . . 0.0 110.226 164.466 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? . . . . . 0 C--O 1.233 0.197 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.9 t -92.4 146.29 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 168.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -125.92 135.6 52.08 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 174.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.5 mt -124.31 142.14 42.11 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 N-CA-C 103.865 -2.643 . . . . 0.0 103.865 176.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.8 tt -143.82 123.73 13.51 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 105.194 -2.15 . . . . 0.0 105.194 176.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -142.96 148.93 37.67 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 118.614 0.643 . . . . 0.0 110.601 -173.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -127.06 143.66 51.23 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 126.674 1.99 . . . . 0.0 107.983 177.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 170.93 -171.68 43.97 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 123.725 0.678 . . . . 0.0 111.549 175.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -54.9 145.18 63.59 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 123.042 2.495 . . . . 0.0 110.777 166.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -59.17 -40.7 86.45 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 122.076 -0.39 . . . . 0.0 110.941 -177.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -64.36 -43.65 93.87 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 121.821 -0.549 . . . . 0.0 111.208 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.13 -44.44 94.93 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 123.104 0.562 . . . . 0.0 110.255 176.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.9 mt -64.17 -38.73 92.11 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 118.225 -0.893 . . . . 0.0 111.121 177.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -63.22 -45.55 91.12 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 120.293 1.406 . . . . 0.0 110.913 176.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.1 m -56.07 -38.51 70.74 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.703 0.683 . . . . 0.0 110.646 173.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -71.52 -31.46 67.08 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-O 117.405 -1.283 . . . . 0.0 111.928 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.9 t -63.65 -44.23 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 121.438 1.927 . . . . 0.0 108.599 169.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -60.41 -34.09 73.44 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.776 0.716 . . . . 0.0 111.393 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.23 -54.47 17.49 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.076 0.551 . . . . 0.0 111.219 171.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 28.8 t -61.67 -41.57 90.93 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 C-N-CA 124.346 1.058 . . . . 0.0 110.675 -172.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -64.58 -15.48 61.13 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -177.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -69.88 -27.5 64.86 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 119.244 0.929 . . . . 0.0 111.813 172.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.73 -175.38 30.67 Favored Glycine 0 CA--C 1.536 1.37 0 N-CA-C 109.413 -1.475 . . . . 0.0 109.413 -154.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.6 p -68.84 162.16 66.2 Favored Pre-proline 0 CA--C 1.538 0.502 0 O-C-N 120.896 -1.355 . . . . 0.0 108.524 163.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -48.73 -12.47 0.2 Allowed 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 124.315 3.343 . . . . 0.0 115.782 161.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -113.82 -7.07 13.24 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.992 1.317 . . . . 0.0 111.784 -178.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.2 m -81.03 171.68 14.67 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.687 1.195 . . . . 0.0 111.604 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -139.86 88.65 2.25 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 105.444 -2.058 . . . . 0.0 105.444 155.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.1 p -59.78 136.02 23.8 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 165.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.4 p -119.97 -16.55 8.62 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.358 1.063 . . . . 0.0 110.798 177.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -154.51 146.44 23.52 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 124.139 0.976 . . . . 0.0 109.612 174.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.2 tt -145.69 145.45 20.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 C-N-CA 125.873 1.669 . . . . 0.0 107.9 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.8 m -140.2 150.56 44.31 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 125.724 1.61 . . . . 0.0 108.523 -176.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.5 t -138.8 143.2 32.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 C-N-CA 124.308 1.043 . . . . 0.0 108.726 -171.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.2 m -139.09 112.15 7.97 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 106.581 -1.636 . . . . 0.0 106.581 172.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -75.2 157.01 35.21 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 121.758 -0.589 . . . . 0.0 109.588 171.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.9 m -162.79 175.31 11.41 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.055 1.742 . . . . 0.0 109.178 178.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -127.91 25.58 5.93 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.074 0.949 . . . . 0.0 110.476 174.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.6 m -86.12 74.77 10.01 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 176.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 26.5 mt -63.67 124.78 22.3 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.383 -160.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.425 ' C ' ' H ' ' A' ' 83' ' ' HIS . 72.7 mm-40 -78.17 65.91 3.65 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.456 1.502 . . . . 0.0 108.353 165.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -69.31 12.26 1.32 Allowed Glycine 0 CA--C 1.537 1.464 0 C-N-CA 125.471 1.51 . . . . 0.0 113.447 175.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.425 ' H ' ' C ' ' A' ' 81' ' ' GLU . 16.1 m80 -52.75 159.76 1.04 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.121 1.768 . . . . 0.0 112.178 170.19 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 -69.49 -27.49 65.26 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.807 0.843 . . . . 0.0 113.268 -172.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -147.15 167.29 24.52 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 118.985 0.811 . . . . 0.0 111.449 -170.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -86.32 148.3 25.67 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 162.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.2 m -138.58 158.7 43.76 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.072 0.851 . . . . 0.0 112.004 -170.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.4 mt -105.39 143.83 15.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 105.238 -2.134 . . . . 0.0 105.238 169.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.328 -0.331 0 N-CA-C 103.836 -2.653 . . . . 0.0 103.836 161.491 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.485 1.287 0 CA-C-O 120.962 0.41 . . . . 0.0 110.112 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 25.1 tp -134.82 176.45 8.64 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 126.026 1.73 . . . . 0.0 107.441 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -145.62 157.88 43.92 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.953 1.301 . . . . 0.0 108.548 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -146.12 168.85 19.95 Favored 'General case' 0 C--O 1.235 0.338 0 O-C-N 121.768 -0.582 . . . . 0.0 110.429 162.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -125.43 138.04 54.01 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 105.553 -2.017 . . . . 0.0 105.553 165.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.8 mt -133.63 138.5 50.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 106.284 -1.747 . . . . 0.0 106.284 -174.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.6 mm -116.2 139.66 41.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 105.23 -2.137 . . . . 0.0 105.23 173.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.6 t -132.55 136.11 56.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 -176.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -135.04 147.87 49.75 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 125.116 1.366 . . . . 0.0 108.668 -172.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.78 -156.82 22.68 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 -175.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -73.93 88.96 1.86 Allowed 'General case' 0 C--O 1.23 0.072 0 N-CA-C 106.83 -1.545 . . . . 0.0 106.83 165.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.6 m -130.48 11.26 2.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 124.74 1.216 . . . . 0.0 110.588 175.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -131.2 161.3 32.51 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 126.39 1.876 . . . . 0.0 106.869 169.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 60.87 20.66 57.62 Favored Glycine 0 CA--C 1.535 1.323 0 O-C-N 121.682 -0.636 . . . . 0.0 111.659 -163.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.5 m -148.26 151.85 13.0 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 C-N-CA 128.887 2.875 . . . . 0.0 104.456 173.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.1 35.04 2.15 Favored Glycine 0 CA--C 1.529 0.921 0 CA-C-O 119.315 -0.714 . . . . 0.0 113.674 -170.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -58.84 -37.74 77.13 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.85 1.325 . . . . 0.0 112.671 -169.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.9 mtm-85 -58.32 -39.7 80.13 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.136 0.88 . . . . 0.0 110.921 176.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -71.11 -38.89 72.34 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 118.572 0.624 . . . . 0.0 110.592 176.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -56.91 -52.64 64.36 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 119.104 0.865 . . . . 0.0 109.855 175.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.6 t -58.68 -41.58 82.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 123.732 0.813 . . . . 0.0 109.717 177.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -56.85 -50.62 71.88 Favored 'General case' 0 C--N 1.339 0.128 0 CA-C-N 118.729 0.695 . . . . 0.0 110.897 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 76.6 mtm -71.29 -36.69 71.76 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 119.457 -0.306 . . . . 0.0 110.181 -174.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -67.91 -30.86 70.3 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 118.287 0.494 . . . . 0.0 111.85 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.4 -43.02 61.39 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 118.912 0.778 . . . . 0.0 110.682 172.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -65.93 -44.48 85.0 Favored 'General case' 0 CA--C 1.527 0.075 0 C-N-CA 123.897 0.879 . . . . 0.0 111.302 -175.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -17.26 62.43 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 118.432 0.56 . . . . 0.0 112.349 175.288 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.6 tpt85 -105.82 8.43 32.78 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.731 1.213 . . . . 0.0 111.286 177.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp 49.16 33.61 5.14 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.89 2.076 . . . . 0.0 112.984 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.0 mt -75.59 166.09 24.1 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 121.772 -0.58 . . . . 0.0 109.741 173.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -132.57 149.03 52.38 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 124.354 1.061 . . . . 0.0 108.691 173.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 146.34 -162.42 28.42 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.531 -0.628 . . . . 0.0 111.531 -165.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 3.2 p90 -137.0 162.44 33.3 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 124.048 0.939 . . . . 0.0 112.144 177.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.3 p -131.21 142.08 44.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 158.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -153.79 155.13 35.27 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 124.124 0.969 . . . . 0.0 110.59 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.4 t30 . . . . . 0 CA--C 1.538 0.493 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 169.277 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 . . . . . 0 N--CA 1.47 0.528 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 76.4 t -120.39 146.03 25.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 166.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -120.48 138.19 53.95 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 125.461 1.504 . . . . 0.0 107.023 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.0 mt -128.91 140.99 47.78 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 N-CA-C 104.568 -2.382 . . . . 0.0 104.568 177.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.8 tt -143.28 124.67 14.7 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 105.118 -2.179 . . . . 0.0 105.118 176.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -142.54 151.34 41.51 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 118.527 0.603 . . . . 0.0 109.992 -174.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -129.28 155.03 46.24 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 125.453 1.501 . . . . 0.0 109.177 168.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.75 -170.1 36.58 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.336 -0.706 . . . . 0.0 111.336 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -54.11 141.07 70.15 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 123.271 2.647 . . . . 0.0 110.728 168.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -63.3 -30.01 71.23 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.93 -0.481 . . . . 0.0 111.809 -179.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -67.43 -47.6 69.74 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 121.379 -0.826 . . . . 0.0 110.612 176.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.82 -44.45 94.02 Favored 'General case' 0 C--O 1.23 0.077 0 C-N-CA 123.433 0.693 . . . . 0.0 110.295 177.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 43.0 mt -61.92 -42.92 99.65 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 118.592 -0.718 . . . . 0.0 111.011 178.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -62.91 -46.17 89.06 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 119.854 1.207 . . . . 0.0 111.021 178.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.9 m -58.16 -36.52 73.14 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.602 0.637 . . . . 0.0 111.154 174.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -69.76 -32.94 71.72 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 117.427 -1.273 . . . . 0.0 111.42 178.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.5 t -62.69 -44.09 99.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-N 121.355 1.889 . . . . 0.0 109.111 168.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -60.13 -35.03 74.37 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.121 0.873 . . . . 0.0 111.162 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.51 -52.57 37.45 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 122.973 0.509 . . . . 0.0 111.21 171.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.1 t -62.79 -43.03 98.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 124.296 1.039 . . . . 0.0 110.93 -173.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -65.53 -18.07 65.04 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 118.713 0.688 . . . . 0.0 112.695 -175.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -69.72 -25.23 63.75 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 118.828 0.74 . . . . 0.0 111.578 172.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.35 -178.97 21.49 Favored Glycine 0 CA--C 1.534 1.237 0 N-CA-C 109.406 -1.478 . . . . 0.0 109.406 -153.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.0 p -68.83 159.52 81.97 Favored Pre-proline 0 CA--C 1.536 0.416 0 O-C-N 120.866 -1.373 . . . . 0.0 107.711 159.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -47.49 -27.25 7.15 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 123.298 2.666 . . . . 0.0 114.305 164.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -84.36 -27.62 27.58 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.671 0.788 . . . . 0.0 111.999 177.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 55.6 m -71.82 169.24 16.18 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 123.807 0.843 . . . . 0.0 111.573 -176.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -138.67 84.4 2.02 Favored 'General case' 0 N--CA 1.457 -0.105 0 N-CA-C 105.882 -1.896 . . . . 0.0 105.882 161.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.1 p -59.56 135.61 23.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 N-CA-C 107.316 -1.364 . . . . 0.0 107.316 165.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.8 p -119.59 -17.64 8.62 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.629 1.172 . . . . 0.0 110.599 177.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -154.77 150.5 27.61 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.253 1.021 . . . . 0.0 109.459 172.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.3 tt -145.88 145.85 19.84 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 125.649 1.58 . . . . 0.0 107.912 -178.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.7 m -137.7 144.97 42.01 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 125.893 1.677 . . . . 0.0 108.002 -174.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.0 t -137.48 143.98 32.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 124.148 0.979 . . . . 0.0 108.554 -173.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 57.6 m -135.81 114.41 11.83 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 105.609 -1.997 . . . . 0.0 105.609 171.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -77.21 148.37 35.89 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 171.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.6 m -151.6 169.05 23.06 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.906 1.283 . . . . 0.0 109.971 -168.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -141.54 29.13 1.77 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.842 0.857 . . . . 0.0 109.409 164.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.1 m -87.27 60.01 5.88 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.065 1.746 . . . . 0.0 107.587 -176.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 36.0 mt -53.0 141.91 21.07 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 124.581 1.152 . . . . 0.0 111.476 -162.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.35 -19.73 13.18 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.802 1.641 . . . . 0.0 110.82 -173.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.21 16.03 78.7 Favored Glycine 0 CA--C 1.528 0.848 0 CA-C-O 118.689 -1.062 . . . . 0.0 114.897 154.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -68.67 163.69 23.27 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 119.322 1.561 . . . . 0.0 109.784 169.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 24.3 p-80 -103.9 -2.01 26.84 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.708 0.803 . . . . 0.0 112.455 -178.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.55 162.86 40.64 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 124.265 1.026 . . . . 0.0 109.76 178.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -79.73 157.82 27.06 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 176.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.44 149.33 46.79 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.368 0.667 . . . . 0.0 110.949 -167.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 35.8 mt -104.68 135.89 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 104.473 -2.417 . . . . 0.0 104.473 162.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 61.9 t . . . . . 0 CA--C 1.534 0.331 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 -179.426 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 mmt . . . . . 0 N--CA 1.487 1.378 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 48.1 mt -129.42 -179.4 5.13 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 125.095 1.358 . . . . 0.0 108.111 171.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -152.0 149.84 29.32 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 125.988 1.715 . . . . 0.0 107.399 -170.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -146.47 166.18 27.2 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.995 0.426 . . . . 0.0 110.754 164.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.6 ttm-85 -118.27 141.89 48.05 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 105.601 -2.0 . . . . 0.0 105.601 158.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.8 mt -130.82 145.21 35.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 105.824 -1.917 . . . . 0.0 105.824 -178.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 21.0 mm -122.44 140.81 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 105.156 -2.165 . . . . 0.0 105.156 175.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.1 t -136.85 143.67 34.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 N-CA-C 107.019 -1.474 . . . . 0.0 107.019 -173.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -143.46 152.15 41.18 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 124.796 1.238 . . . . 0.0 109.267 -177.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 138.0 -156.56 23.89 Favored Glycine 0 CA--C 1.525 0.658 0 C-N-CA 124.971 1.272 . . . . 0.0 110.067 -176.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.3 ttp-105 -73.56 87.03 1.61 Allowed 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 161.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.3 m -133.59 13.49 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 C-N-CA 124.053 0.941 . . . . 0.0 111.158 -177.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.3 mp0 -138.88 164.47 29.59 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 125.784 1.633 . . . . 0.0 107.429 168.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.86 -51.53 3.81 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 109.357 -1.497 . . . . 0.0 109.357 -170.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.2 m -59.09 148.19 7.13 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 154.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.19 37.62 2.19 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 124.19 0.9 . . . . 0.0 112.715 -175.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -59.23 -39.43 82.71 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-N 118.052 0.926 . . . . 0.0 112.326 -166.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -59.81 -32.5 70.7 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.491 1.041 . . . . 0.0 111.792 178.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -73.67 -39.34 64.51 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.775 0.716 . . . . 0.0 109.898 176.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -55.9 -52.67 63.28 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.692 0.678 . . . . 0.0 109.439 174.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.4 t -57.8 -43.41 84.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 124.009 0.924 . . . . 0.0 110.003 178.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -55.65 -48.9 74.23 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.847 0.749 . . . . 0.0 110.652 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 76.8 mtm -73.81 -34.61 64.68 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 119.442 -0.313 . . . . 0.0 111.005 -174.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -70.94 -30.34 66.62 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.986 0.812 . . . . 0.0 111.55 176.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.23 -45.42 69.84 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 119.17 0.895 . . . . 0.0 109.845 170.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -63.66 -39.34 94.08 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 123.584 0.754 . . . . 0.0 111.761 -177.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.11 -26.01 67.26 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 119.367 0.985 . . . . 0.0 111.584 177.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -90.55 -0.43 57.67 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.97 0.908 . . . . 0.0 112.344 171.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm 46.09 39.0 5.33 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.088 1.755 . . . . 0.0 112.541 -172.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.6 mt -73.02 165.73 24.46 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 167.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.03 149.05 48.64 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.207 1.003 . . . . 0.0 108.875 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 142.64 -146.82 18.01 Favored Glycine 0 CA--C 1.531 1.086 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -167.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.4 p90 -146.71 169.01 19.93 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.013 0.907 . . . . 0.0 113.281 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 p -130.46 144.0 39.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 160.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -151.79 151.36 31.26 Favored 'General case' 0 CA--C 1.519 -0.246 0 O-C-N 121.745 -0.597 . . . . 0.0 111.153 176.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 36.4 t30 . . . . . 0 CA--C 1.534 0.332 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 160.459 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.468 0.448 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 76.0 t -118.93 152.21 21.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 167.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -125.65 144.21 50.69 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 125.428 1.491 . . . . 0.0 107.617 177.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -120.54 147.96 24.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 N-CA-C 104.877 -2.268 . . . . 0.0 104.877 168.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.5 tt -144.1 126.68 16.0 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 105.239 -2.134 . . . . 0.0 105.239 168.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -142.76 156.13 44.95 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 118.483 0.583 . . . . 0.0 109.788 -178.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -135.23 155.05 51.31 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 125.677 1.591 . . . . 0.0 109.008 166.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 156.74 -166.72 33.48 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 123.626 0.631 . . . . 0.0 111.641 -178.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -57.22 143.19 94.14 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 123.687 2.925 . . . . 0.0 111.159 172.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -42.23 89.21 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 122.981 0.512 . . . . 0.0 112.115 -179.03 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -67.8 -38.07 82.82 Favored 'General case' 0 C--O 1.233 0.224 0 O-C-N 121.465 -0.772 . . . . 0.0 111.364 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.85 -44.08 90.91 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 122.761 0.424 . . . . 0.0 110.042 175.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.4 mt -61.84 -46.53 89.07 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.806 0.842 . . . . 0.0 110.513 177.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -61.42 -44.56 96.92 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 119.265 0.939 . . . . 0.0 110.622 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.1 m -58.7 -37.75 76.78 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 120.969 0.414 . . . . 0.0 110.688 176.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -70.66 -31.09 67.88 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 117.509 -1.234 . . . . 0.0 111.683 176.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.2 t -62.76 -44.31 99.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-N 121.289 1.859 . . . . 0.0 109.179 168.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -59.07 -37.97 78.34 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.051 0.841 . . . . 0.0 110.41 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.81 -51.18 58.65 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 122.791 0.436 . . . . 0.0 111.547 174.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 31.6 t -63.3 -44.69 99.25 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 124.219 1.008 . . . . 0.0 110.564 -175.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.9 pttt -65.68 -22.4 66.63 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.824 0.738 . . . . 0.0 112.408 -172.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -66.49 -27.95 68.19 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.265 0.484 . . . . 0.0 111.48 173.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.0 -177.74 38.13 Favored Glycine 0 CA--C 1.531 1.065 0 N-CA-C 109.354 -1.498 . . . . 0.0 109.354 -155.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 96.3 p -66.2 160.22 66.17 Favored Pre-proline 0 CA--C 1.539 0.522 0 O-C-N 121.084 -1.245 . . . . 0.0 108.022 158.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_exo -46.62 -26.33 4.28 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 123.439 2.759 . . . . 0.0 114.818 164.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -86.8 -26.69 23.97 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.636 0.774 . . . . 0.0 111.981 177.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.9 m -70.72 172.75 8.19 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.133 0.973 . . . . 0.0 111.373 -178.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -142.09 97.99 3.24 Favored 'General case' 0 CA--C 1.522 -0.097 0 N-CA-C 105.869 -1.9 . . . . 0.0 105.869 160.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 67.5 t -64.26 135.66 27.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 168.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.5 p -118.2 -18.97 9.19 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.994 0.918 . . . . 0.0 110.697 174.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -154.86 150.07 27.07 Favored 'General case' 0 C--N 1.341 0.22 0 C-N-CA 124.198 0.999 . . . . 0.0 109.301 172.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.0 tt -148.27 146.24 17.93 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 125.517 1.527 . . . . 0.0 107.975 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.6 m -139.86 149.76 43.81 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 126.003 1.721 . . . . 0.0 108.275 -176.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.4 t -138.39 144.37 30.49 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 124.17 0.988 . . . . 0.0 108.702 -172.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.1 m -134.91 103.96 5.79 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 105.781 -1.933 . . . . 0.0 105.781 170.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -74.43 149.53 40.37 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 170.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.3 m -148.75 163.84 36.15 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.335 1.454 . . . . 0.0 109.722 -171.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 60.5 ttp85 -144.06 47.77 1.41 Allowed 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.368 1.067 . . . . 0.0 108.697 176.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.0 m -134.65 59.62 1.73 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.961 2.104 . . . . 0.0 106.272 -172.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.5 mt -49.14 148.37 2.48 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 126.897 2.079 . . . . 0.0 113.705 -157.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -68.2 -40.09 82.27 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.405 1.082 . . . . 0.0 109.301 172.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 62.29 38.08 95.64 Favored Glycine 0 CA--C 1.533 1.198 0 N-CA-C 110.297 -1.121 . . . . 0.0 110.297 -166.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.55 166.28 22.14 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.728 1.211 . . . . 0.0 109.992 -178.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -129.53 3.75 5.07 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.046 0.939 . . . . 0.0 112.001 -178.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.9 ptt85 -154.21 157.5 38.88 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 125.612 1.565 . . . . 0.0 108.582 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -86.21 149.15 25.29 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 154.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 m -138.73 162.43 34.71 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 122.842 0.457 . . . . 0.0 111.168 -167.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 24.7 mt -118.3 139.53 45.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 N-CA-C 105.927 -1.879 . . . . 0.0 105.927 169.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.537 0.455 0 C-N-CA 124.382 1.073 . . . . 0.0 108.578 174.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.4 mmm . . . . . 0 N--CA 1.486 1.341 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 76.8 mt -142.16 -179.66 6.37 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 125.793 1.637 . . . . 0.0 108.308 176.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -136.86 154.79 50.4 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 125.343 1.457 . . . . 0.0 108.563 175.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -140.69 169.51 17.5 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.379 0.609 . . . . 0.0 110.805 157.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -132.98 133.46 43.18 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 105.104 -2.184 . . . . 0.0 105.104 170.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.9 mt -131.76 137.34 55.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 106.298 -1.742 . . . . 0.0 106.298 -172.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.4 mm -113.14 139.71 36.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 105.18 -2.156 . . . . 0.0 105.18 174.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.0 t -134.87 137.2 51.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 -178.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -132.04 151.17 51.91 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 125.219 1.408 . . . . 0.0 108.788 -174.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.38 -157.37 22.27 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 177.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.5 ttp-105 -72.98 87.97 1.36 Allowed 'General case' 0 C--O 1.23 0.067 0 N-CA-C 106.922 -1.511 . . . . 0.0 106.922 167.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.4 m -133.18 -31.42 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 124.051 0.94 . . . . 0.0 111.406 176.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -83.79 -39.11 20.43 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 120.774 -1.204 . . . . 0.0 110.933 -174.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.5 1.1 38.14 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 123.773 0.702 . . . . 0.0 113.46 178.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.5 m -130.82 10.83 2.0 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 C-N-CA 126.018 1.727 . . . . 0.0 110.947 -174.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.85 30.97 72.44 Favored Glycine 0 C--N 1.343 0.917 0 CA-C-O 119.262 -0.744 . . . . 0.0 113.673 169.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -53.58 -31.42 46.69 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 118.545 1.172 . . . . 0.0 112.794 -177.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -55.08 -37.49 66.86 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 119.136 0.88 . . . . 0.0 111.386 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -71.51 -39.6 70.68 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 118.624 0.647 . . . . 0.0 110.823 178.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -59.26 -49.57 77.33 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 118.751 0.705 . . . . 0.0 109.622 175.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.8 t -57.9 -42.85 83.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 C-N-CA 123.354 0.662 . . . . 0.0 109.898 175.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -56.94 -48.97 77.05 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 118.724 0.693 . . . . 0.0 110.849 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 95.7 mtp -71.22 -37.83 72.04 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 122.517 0.327 . . . . 0.0 110.218 -175.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -69.03 -30.32 68.66 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 119.166 -0.445 . . . . 0.0 111.683 177.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.31 -44.73 62.28 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 118.976 0.807 . . . . 0.0 110.12 172.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -63.88 -42.01 97.59 Favored 'General case' 0 C--O 1.23 0.058 0 C-N-CA 123.787 0.835 . . . . 0.0 111.522 -176.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -13.51 62.13 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.363 -0.835 . . . . 0.0 112.766 177.23 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -104.28 1.14 30.08 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.336 1.054 . . . . 0.0 111.771 170.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt 41.79 42.88 2.32 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.446 1.899 . . . . 0.0 112.397 -170.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.4 mt -69.42 165.56 20.57 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 166.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.5 141.8 43.49 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 123.405 0.682 . . . . 0.0 109.574 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 144.87 -154.37 25.83 Favored Glycine 0 CA--C 1.533 1.195 0 CA-C-O 119.771 -0.461 . . . . 0.0 112.34 -165.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.0 p90 -140.26 165.38 27.55 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 117.935 0.867 . . . . 0.0 112.931 -176.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.3 p -136.96 138.67 45.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 160.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -160.53 176.31 11.74 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.853 0.861 . . . . 0.0 111.422 -171.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 45.9 t30 . . . . . 0 N--CA 1.467 0.415 0 C-N-CA 123.329 0.652 . . . . 0.0 110.272 165.639 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 . . . . . 0 N--CA 1.469 0.522 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.4 t -95.82 146.66 6.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 106.006 -1.849 . . . . 0.0 106.006 166.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -127.93 139.7 52.43 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 175.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.0 mt -129.53 142.23 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 N-CA-C 104.682 -2.34 . . . . 0.0 104.682 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.1 tt -143.98 129.46 19.02 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 105.589 -2.004 . . . . 0.0 105.589 177.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.1 143.8 31.3 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 118.318 0.508 . . . . 0.0 109.967 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -99.67 154.05 18.6 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 156.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 173.55 177.77 43.02 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-O 119.823 -0.432 . . . . 0.0 112.732 177.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -72.54 153.75 54.98 Favored 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 122.853 2.369 . . . . 0.0 109.685 167.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -58.83 -42.99 90.57 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.342 0.657 . . . . 0.0 111.781 -170.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -64.24 -42.31 96.58 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 118.629 0.65 . . . . 0.0 111.499 -176.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.24 -43.53 86.31 Favored 'General case' 0 N--CA 1.457 -0.091 0 N-CA-C 110.108 -0.331 . . . . 0.0 110.108 177.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 46.7 mt -61.51 -46.7 88.85 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.001 0.52 . . . . 0.0 110.463 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -63.16 -44.62 94.99 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 119.569 1.077 . . . . 0.0 110.971 178.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.3 m -58.26 -39.46 79.23 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 121.228 0.537 . . . . 0.0 110.548 175.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -69.7 -31.56 69.66 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-O 116.989 -1.482 . . . . 0.0 111.234 178.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 38.2 t -62.02 -47.43 93.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 121.571 1.987 . . . . 0.0 108.669 167.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -59.07 -35.15 72.88 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.763 0.711 . . . . 0.0 110.81 -176.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.79 -56.48 9.03 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.243 0.617 . . . . 0.0 111.763 170.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.7 t -57.69 -46.62 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 C-N-CA 125.048 1.339 . . . . 0.0 111.017 -172.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.4 pptp? -64.59 -18.2 64.67 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -174.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -68.0 -27.78 66.86 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.888 0.767 . . . . 0.0 111.713 172.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.68 -174.17 39.75 Favored Glycine 0 CA--C 1.534 1.256 0 N-CA-C 109.41 -1.476 . . . . 0.0 109.41 -154.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.7 m -63.55 158.4 59.22 Favored Pre-proline 0 CA--C 1.539 0.547 0 O-C-N 121.164 -1.198 . . . . 0.0 108.011 158.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_exo -46.83 -33.57 14.35 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.267 2.645 . . . . 0.0 114.202 165.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -79.28 -17.82 53.92 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.166 0.987 . . . . 0.0 113.271 178.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.3 m -73.95 171.25 13.8 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.881 0.872 . . . . 0.0 112.84 -173.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 54.1 tttp -137.6 96.91 3.33 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 105.24 -2.133 . . . . 0.0 105.24 161.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 66.8 t -64.63 134.04 29.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 168.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.8 p -117.19 -19.62 9.58 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.008 0.923 . . . . 0.0 110.813 177.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -155.49 151.0 27.19 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 124.631 1.172 . . . . 0.0 108.742 169.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 12.7 tt -142.88 142.16 26.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 125.502 1.521 . . . . 0.0 107.174 174.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 66.7 m -136.71 150.81 48.64 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 125.73 1.612 . . . . 0.0 108.386 -178.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.2 t -140.65 145.54 25.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 124.127 0.971 . . . . 0.0 108.883 -169.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.2 m -131.09 137.12 48.96 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 164.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -119.91 144.01 47.66 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 54.4 m -147.3 157.33 43.55 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.946 0.898 . . . . 0.0 110.344 -163.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -122.69 53.0 1.29 Allowed 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.289 1.436 . . . . 0.0 107.185 176.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.3 m -139.97 130.42 25.48 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 105.182 -2.155 . . . . 0.0 105.182 -178.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -87.44 168.23 13.29 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -174.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -117.4 -14.63 10.36 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.118 1.367 . . . . 0.0 111.243 -171.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 71.42 2.96 51.97 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 124.919 1.247 . . . . 0.0 113.147 173.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -72.3 153.57 41.45 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.024 0.93 . . . . 0.0 108.977 176.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -129.47 13.9 6.03 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.576 1.151 . . . . 0.0 110.576 176.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.56 167.06 30.1 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 126.341 1.856 . . . . 0.0 107.485 177.204 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -102.7 152.03 21.69 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 169.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.5 m -134.38 151.84 51.44 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 123.426 0.69 . . . . 0.0 111.998 -177.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 38.4 mt -97.59 146.78 7.23 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 104.873 -2.269 . . . . 0.0 104.873 159.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 C--O 1.235 0.312 0 N-CA-C 105.448 -2.056 . . . . 0.0 105.448 160.907 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 mmt . . . . . 0 N--CA 1.486 1.329 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 46.0 mt -135.92 175.27 9.75 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 124.772 1.229 . . . . 0.0 108.189 172.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -136.72 150.47 48.45 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 125.761 1.624 . . . . 0.0 107.851 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -138.65 168.21 20.28 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.483 0.658 . . . . 0.0 110.356 166.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -131.04 136.52 48.54 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 105.261 -2.126 . . . . 0.0 105.261 166.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.7 mt -132.06 136.68 56.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.0 mm -113.22 139.24 39.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 105.133 -2.173 . . . . 0.0 105.133 175.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.5 t -135.62 139.84 45.65 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 -174.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -142.39 154.11 44.34 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 125.302 1.441 . . . . 0.0 109.569 -174.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.01 -153.79 21.08 Favored Glycine 0 CA--C 1.522 0.512 0 C-N-CA 125.484 1.516 . . . . 0.0 109.497 -175.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -73.62 79.66 1.5 Allowed 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 163.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.2 m -131.57 7.8 1.79 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 123.453 0.701 . . . . 0.0 111.906 -172.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -132.16 153.19 50.79 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 168.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.82 18.81 79.68 Favored Glycine 0 CA--C 1.537 1.407 0 CA-C-O 119.706 -0.497 . . . . 0.0 112.586 -169.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 m -137.45 19.71 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 125.652 1.581 . . . . 0.0 110.967 -173.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.55 12.11 60.95 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 124.324 0.964 . . . . 0.0 114.196 176.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -61.17 -39.19 89.19 Favored 'General case' 0 C--N 1.339 0.138 0 CA-C-N 118.838 1.319 . . . . 0.0 112.419 -166.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 90.0 mtm-85 -62.04 -33.76 74.97 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.892 1.224 . . . . 0.0 111.855 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -70.21 -39.59 75.07 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 118.95 0.796 . . . . 0.0 110.358 174.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -57.51 -51.28 70.11 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.732 0.696 . . . . 0.0 109.854 175.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.6 t -57.86 -43.16 83.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 123.729 0.811 . . . . 0.0 109.719 176.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -58.3 -49.56 76.71 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 118.79 0.723 . . . . 0.0 110.996 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.5 mtt -72.38 -36.58 68.74 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 -174.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -68.9 -30.36 68.83 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 118.947 -0.549 . . . . 0.0 111.618 177.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.07 -43.56 64.67 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 119.068 0.849 . . . . 0.0 110.319 171.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -66.31 -43.92 84.9 Favored 'General case' 0 N--CA 1.461 0.092 0 C-N-CA 123.685 0.794 . . . . 0.0 111.654 -175.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.35 -16.12 59.46 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.906 0.776 . . . . 0.0 112.397 176.101 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.9 tpt85 -108.71 5.21 24.58 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.961 1.304 . . . . 0.0 111.122 177.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt 39.37 44.46 1.09 Allowed 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 127.729 2.412 . . . . 0.0 113.224 -174.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.1 mt -72.89 165.82 24.19 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 165.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.23 151.31 50.88 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 124.292 1.037 . . . . 0.0 109.289 175.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 140.69 -154.44 24.27 Favored Glycine 0 CA--C 1.531 1.045 0 CA-C-N 118.092 0.405 . . . . 0.0 112.439 -171.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.8 p90 -138.65 163.89 30.94 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.069 0.947 . . . . 0.0 112.513 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.4 p -130.99 140.27 49.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 N-CA-C 107.481 -1.304 . . . . 0.0 107.481 157.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -154.3 163.7 39.74 Favored 'General case' 0 C--N 1.338 0.101 0 C-N-CA 123.502 0.721 . . . . 0.0 111.965 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.0 t30 . . . . . 0 C--O 1.234 0.258 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 162.859 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? . . . . . 0 C--O 1.233 0.209 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.3 t -101.6 143.37 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 168.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -123.08 136.01 54.63 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 125.525 1.53 . . . . 0.0 106.883 177.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 23.5 mt -126.88 138.16 55.65 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 N-CA-C 103.92 -2.622 . . . . 0.0 103.92 179.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.7 tt -143.58 117.97 9.66 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 105.286 -2.116 . . . . 0.0 105.286 178.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.06 152.95 41.67 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.049 0.54 . . . . 0.0 110.303 -169.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -140.19 155.08 47.07 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 124.563 1.145 . . . . 0.0 111.36 174.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 159.07 -165.1 34.11 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.544 1.069 . . . . 0.0 111.0 -177.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.48 147.53 68.42 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 123.833 3.022 . . . . 0.0 112.033 174.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -62.9 -35.65 80.74 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.877 -0.514 . . . . 0.0 111.245 -178.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -70.67 -38.01 73.71 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.093 -1.004 . . . . 0.0 111.049 177.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.32 -44.29 92.04 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 122.894 0.477 . . . . 0.0 109.945 177.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.78 -43.22 99.29 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 118.343 -0.836 . . . . 0.0 110.308 176.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -60.28 -47.47 85.86 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 120.133 1.333 . . . . 0.0 111.534 177.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.8 m -56.62 -38.18 71.73 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 118.442 0.564 . . . . 0.0 110.836 174.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -70.0 -33.77 72.46 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 117.272 -1.347 . . . . 0.0 111.521 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.9 t -63.42 -44.53 98.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-N 121.347 1.885 . . . . 0.0 108.797 170.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -59.43 -35.59 74.31 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.87 0.759 . . . . 0.0 111.091 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.63 -53.47 27.71 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 122.945 0.498 . . . . 0.0 111.274 171.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.7 t -62.25 -42.57 95.81 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 C-N-CA 124.352 1.061 . . . . 0.0 111.08 -171.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -64.57 -19.07 65.43 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.92 0.782 . . . . 0.0 112.591 -175.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -69.4 -27.79 65.59 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.827 0.74 . . . . 0.0 111.737 174.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.27 -172.81 37.27 Favored Glycine 0 CA--C 1.535 1.331 0 N-CA-C 109.389 -1.485 . . . . 0.0 109.389 -154.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 99.4 p -66.81 161.44 61.34 Favored Pre-proline 0 CA--C 1.538 0.516 0 O-C-N 120.953 -1.322 . . . . 0.0 108.378 160.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -47.13 -24.69 3.69 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 123.619 2.879 . . . . 0.0 114.896 163.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -92.55 -18.4 23.18 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.097 0.959 . . . . 0.0 112.223 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.1 m -73.28 171.46 12.99 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.04 0.936 . . . . 0.0 112.043 -178.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -140.39 98.6 3.46 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 105.637 -1.986 . . . . 0.0 105.637 158.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.0 t -63.34 135.38 27.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 168.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.3 p -121.99 -16.38 7.57 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.636 0.774 . . . . 0.0 110.812 173.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -154.08 147.8 25.32 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.252 1.021 . . . . 0.0 109.253 172.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.6 tt -148.41 144.49 18.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 125.46 1.504 . . . . 0.0 107.854 -178.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.2 m -140.77 153.46 45.86 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 125.661 1.584 . . . . 0.0 108.736 -175.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.9 t -138.62 146.48 26.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 123.954 0.901 . . . . 0.0 109.535 -168.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -134.53 146.56 49.81 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 127.406 2.282 . . . . 0.0 105.725 170.429 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -124.73 154.59 40.63 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 124.33 1.052 . . . . 0.0 109.508 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.2 m -160.77 170.43 20.74 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.577 1.151 . . . . 0.0 110.256 -175.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -140.83 51.46 1.63 Allowed 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 125.296 1.438 . . . . 0.0 107.266 174.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.0 m -136.68 63.72 1.57 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 -155.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -55.95 136.42 51.84 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.774 -154.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.91 -22.67 15.67 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.328 1.451 . . . . 0.0 111.633 -175.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.29 17.99 72.62 Favored Glycine 0 CA--C 1.529 0.948 0 CA-C-O 118.112 -1.382 . . . . 0.0 115.487 151.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -61.15 150.45 34.2 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.997 1.899 . . . . 0.0 109.933 169.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 15.3 p-80 -82.33 4.58 23.27 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.616 1.166 . . . . 0.0 112.187 174.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.5 ptt-85 -158.71 171.16 20.61 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 125.432 1.493 . . . . 0.0 109.079 -167.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -89.47 155.57 19.22 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 154.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.0 m -135.14 150.37 50.17 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.638 0.775 . . . . 0.0 111.636 -176.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 28.3 mt -96.78 136.57 27.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 N-CA-C 104.142 -2.54 . . . . 0.0 104.142 157.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 47.9 t . . . . . 0 CA--C 1.536 0.422 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 178.047 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.7 mtt . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.902 0.382 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.7 mt -138.11 -179.72 5.95 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 126.053 1.741 . . . . 0.0 108.001 176.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -149.22 156.42 42.12 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -175.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -146.86 169.01 20.0 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.431 0.634 . . . . 0.0 111.109 167.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -122.9 140.1 53.34 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 105.447 -2.057 . . . . 0.0 105.447 161.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.7 mt -132.51 139.99 48.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 105.954 -1.869 . . . . 0.0 105.954 177.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.9 mm -119.19 137.88 51.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 104.889 -2.263 . . . . 0.0 104.889 173.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.1 t -131.64 139.22 51.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 -175.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -134.4 151.66 51.33 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 124.927 1.291 . . . . 0.0 109.029 -171.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.76 -155.17 21.07 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 124.698 1.142 . . . . 0.0 110.514 -179.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -73.8 84.93 1.68 Allowed 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 106.345 -1.724 . . . . 0.0 106.345 165.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.7 m -137.79 -17.17 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -173.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -80.9 -30.91 35.37 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 120.45 1.477 . . . . 0.0 113.558 -170.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -131.71 37.18 2.1 Favored Glycine 0 CA--C 1.525 0.713 0 C-N-CA 124.032 0.825 . . . . 0.0 111.963 -164.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.6 m -136.01 30.89 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 125.572 1.549 . . . . 0.0 110.158 -170.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.8 -8.83 40.72 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 121.375 -0.828 . . . . 0.0 113.599 177.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -61.5 -37.2 82.83 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 119.077 1.439 . . . . 0.0 113.236 -166.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.2 mtm105 -57.87 -38.59 76.01 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.701 1.137 . . . . 0.0 110.991 177.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -76.89 -36.38 56.74 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.489 0.716 . . . . 0.0 110.204 177.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -55.21 -51.75 65.57 Favored 'General case' 0 C--N 1.341 0.196 0 CA-C-N 118.78 0.718 . . . . 0.0 109.77 173.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.7 t -60.73 -40.35 84.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 C-N-CA 123.983 0.913 . . . . 0.0 110.077 177.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -56.34 -49.55 74.04 Favored 'General case' 0 C--N 1.341 0.198 0 CA-C-N 119.045 0.839 . . . . 0.0 110.627 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 76.2 mtm -72.68 -35.05 67.59 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 122.595 0.358 . . . . 0.0 110.564 -176.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -71.22 -25.07 62.33 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 118.593 -0.718 . . . . 0.0 112.482 178.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.33 -47.66 26.7 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 119.434 1.015 . . . . 0.0 109.503 168.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -59.7 -38.13 80.76 Favored 'General case' 0 CA--C 1.527 0.094 0 C-N-CA 123.603 0.761 . . . . 0.0 111.795 -176.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.258 0.0 OUTLIER -70.37 -2.22 12.99 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 178.851 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -121.79 8.48 9.98 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.191 1.396 . . . . 0.0 111.168 167.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 46.13 36.31 3.08 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.96 1.704 . . . . 0.0 112.375 -171.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.6 mt -69.63 162.96 26.59 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 171.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -143.22 145.8 33.1 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.272 0.629 . . . . 0.0 110.367 -170.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 138.19 -149.38 20.46 Favored Glycine 0 CA--C 1.535 1.322 0 N-CA-C 111.581 -0.607 . . . . 0.0 111.581 -163.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 13.6 p90 -141.37 167.29 22.53 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 118.159 0.979 . . . . 0.0 113.138 178.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.4 p -132.75 143.5 39.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 160.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.0 pttt -152.91 156.91 39.82 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 123.35 0.66 . . . . 0.0 110.415 -178.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.0 p30 . . . . . 0 N--CA 1.466 0.357 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 166.521 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 . . . . . 0 N--CA 1.468 0.444 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.9 t -123.94 145.3 31.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 105.721 -1.955 . . . . 0.0 105.721 166.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -118.64 138.74 52.39 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 125.756 1.623 . . . . 0.0 106.775 176.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.9 mt -131.01 137.23 56.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 N-CA-C 104.35 -2.463 . . . . 0.0 104.35 177.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.9 tt -148.42 122.16 9.27 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 106.063 -1.828 . . . . 0.0 106.063 -176.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -153.35 163.28 40.2 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 118.532 0.605 . . . . 0.0 112.433 -173.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -127.36 145.64 50.74 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 127.887 2.475 . . . . 0.0 107.114 178.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 170.06 -174.75 44.2 Favored Glycine 0 CA--C 1.527 0.835 0 CA-C-O 119.849 -0.417 . . . . 0.0 112.872 174.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -55.16 141.42 80.17 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 123.582 2.855 . . . . 0.0 110.81 168.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -64.27 -31.9 73.28 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -175.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -71.43 -41.41 69.54 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 121.289 -0.882 . . . . 0.0 110.923 177.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.01 -43.16 96.46 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 122.88 0.472 . . . . 0.0 109.727 176.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.1 mt -61.52 -47.84 83.75 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-O 118.689 -0.672 . . . . 0.0 110.476 176.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -59.64 -42.23 92.27 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 120.008 1.277 . . . . 0.0 111.092 178.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.0 m -62.04 -37.32 84.5 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 121.018 0.437 . . . . 0.0 110.88 176.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -66.55 -35.43 80.2 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 117.396 -1.288 . . . . 0.0 110.827 174.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.9 t -61.38 -45.17 99.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-N 121.252 1.842 . . . . 0.0 109.735 170.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -59.02 -38.06 78.37 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.67 0.668 . . . . 0.0 110.502 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.68 -50.48 62.76 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.116 0.417 . . . . 0.0 112.032 171.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.3 t -62.22 -43.39 97.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 124.899 1.28 . . . . 0.0 110.996 -171.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -63.33 -18.25 63.43 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 119.014 0.825 . . . . 0.0 113.096 -176.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -66.08 -29.14 69.42 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 118.921 0.782 . . . . 0.0 111.842 173.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.01 -171.88 38.18 Favored Glycine 0 CA--C 1.534 1.227 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 -155.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 93.5 p -69.59 161.73 72.12 Favored Pre-proline 0 CA--C 1.539 0.529 0 O-C-N 120.936 -1.332 . . . . 0.0 108.167 160.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -47.66 -21.29 2.24 Favored 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 123.704 2.936 . . . . 0.0 115.095 162.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -98.13 -14.25 20.52 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.486 1.114 . . . . 0.0 112.107 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.6 m -73.46 169.95 16.13 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.902 0.858 . . . . 0.0 112.024 -178.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.8 ttmt -136.97 95.2 3.07 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 105.061 -2.2 . . . . 0.0 105.061 157.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.4 t -62.1 134.92 27.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 167.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 61.4 p -117.03 -21.17 9.02 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.824 0.85 . . . . 0.0 110.515 175.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -156.34 156.03 33.23 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.304 1.042 . . . . 0.0 109.236 171.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.6 tt -147.77 144.74 19.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 125.665 1.586 . . . . 0.0 107.623 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.0 m -138.18 147.43 43.82 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 125.841 1.656 . . . . 0.0 108.032 -174.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.7 t -135.62 145.33 31.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -173.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.7 m -131.46 114.16 14.59 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 104.523 -2.399 . . . . 0.0 104.523 170.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.64 146.56 46.5 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 167.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.1 m -145.48 160.47 41.55 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.801 0.841 . . . . 0.0 109.7 -171.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -146.91 29.13 1.0 Allowed 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.14 0.495 . . . . 0.0 110.278 165.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.4 m -83.39 62.65 6.86 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.106 1.762 . . . . 0.0 106.829 174.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.8 mt -54.98 148.85 12.72 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 124.543 1.137 . . . . 0.0 111.791 -162.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -121.47 -13.01 8.48 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 125.708 1.603 . . . . 0.0 111.355 -167.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 61.19 17.51 52.52 Favored Glycine 0 CA--C 1.53 1.02 0 C-N-CA 124.643 1.116 . . . . 0.0 113.538 169.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.61 149.85 48.11 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 117.663 0.731 . . . . 0.0 109.468 -178.083 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -127.21 26.47 6.04 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.542 1.537 . . . . 0.0 109.165 175.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -154.13 152.27 30.22 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 127.23 2.212 . . . . 0.0 107.546 -176.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -110.91 150.79 28.7 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 107.028 -1.471 . . . . 0.0 107.028 167.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.7 m -135.9 157.36 47.04 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -177.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 22.9 mt -103.57 137.56 31.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 N-CA-C 104.376 -2.453 . . . . 0.0 104.376 161.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 20.4 t . . . . . 0 CA--C 1.536 0.423 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 176.717 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mmt . . . . . 0 N--CA 1.484 1.229 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 mt -147.84 -179.53 6.96 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 125.094 1.358 . . . . 0.0 108.88 176.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -147.3 150.61 35.13 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 126.503 1.921 . . . . 0.0 106.182 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -147.85 168.23 22.74 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 123.204 0.602 . . . . 0.0 111.118 172.237 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -128.71 140.4 51.76 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 106.126 -1.805 . . . . 0.0 106.126 163.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.9 mt -134.02 145.3 33.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 106.25 -1.759 . . . . 0.0 106.25 -173.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.7 mm -126.32 140.12 49.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 105.074 -2.195 . . . . 0.0 105.074 176.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.8 t -136.23 145.75 30.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 -170.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -141.72 150.91 42.43 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 125.382 1.473 . . . . 0.0 109.232 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 139.46 -158.88 25.63 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.108 -1.197 . . . . 0.0 110.108 -177.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -78.26 87.63 4.32 Favored 'General case' 0 C--O 1.231 0.118 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 163.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.3 m -128.99 17.74 2.65 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 C-N-CA 124.69 1.196 . . . . 0.0 110.41 -176.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -138.11 158.07 45.05 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 126.08 1.752 . . . . 0.0 107.403 169.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 63.69 27.52 71.17 Favored Glycine 0 CA--C 1.533 1.175 0 CA-C-O 119.199 -0.778 . . . . 0.0 112.065 -173.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.2 m -142.33 6.61 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 C-N-CA 126.057 1.743 . . . . 0.0 111.105 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.88 15.89 78.21 Favored Glycine 0 CA--C 1.532 1.118 0 O-C-N 121.462 -0.774 . . . . 0.0 113.858 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -59.31 -37.82 78.69 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 118.821 1.311 . . . . 0.0 112.891 -169.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 89.2 mtm-85 -63.69 -31.96 73.3 Favored 'General case' 0 N--CA 1.466 0.362 0 O-C-N 120.921 -1.112 . . . . 0.0 111.077 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -72.36 -38.16 68.62 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.911 0.778 . . . . 0.0 110.571 173.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -56.03 -51.28 68.35 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 119.184 0.902 . . . . 0.0 109.66 174.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.6 t -59.72 -43.37 91.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 124.153 0.981 . . . . 0.0 110.157 177.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -56.34 -48.94 75.76 Favored 'General case' 0 C--N 1.34 0.171 0 CA-C-N 118.956 0.798 . . . . 0.0 110.467 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.1 mtt -72.41 -34.23 67.72 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.65 0.38 . . . . 0.0 110.31 -176.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -70.82 -24.52 62.57 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 118.549 -0.738 . . . . 0.0 112.494 176.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.41 -45.45 31.55 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 119.606 1.093 . . . . 0.0 110.018 168.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -61.76 -37.0 82.68 Favored 'General case' 0 N--CA 1.461 0.122 0 C-N-CA 123.811 0.844 . . . . 0.0 111.59 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.26 0.0 OUTLIER -69.37 -3.05 12.57 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 178.008 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -121.76 6.49 9.93 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.415 1.486 . . . . 0.0 111.308 168.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp 44.93 39.66 3.82 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.966 1.706 . . . . 0.0 112.088 -171.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 98.5 mt -68.25 165.13 19.09 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 170.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.91 149.1 52.69 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 123.805 0.842 . . . . 0.0 109.469 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 139.36 -153.36 22.91 Favored Glycine 0 CA--C 1.531 1.067 0 N-CA-C 111.835 -0.506 . . . . 0.0 111.835 -170.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 1.9 p90 -141.09 166.2 25.44 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.984 0.897 . . . . 0.0 112.906 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.5 p -127.4 143.73 39.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 159.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 55.0 pttt -149.18 150.87 33.36 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 122.707 0.403 . . . . 0.0 111.314 176.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -71.23 154.41 41.68 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 165.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.8 mtt180 -113.72 135.87 53.47 Favored 'General case' 0 N--CA 1.461 0.123 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 168.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -59.72 -25.85 65.15 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.755 0.822 . . . . 0.0 111.863 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -56.9 -30.46 63.94 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.853 1.261 . . . . 0.0 112.807 173.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.71 -11.34 9.55 Favored Glycine 0 CA--C 1.532 1.129 0 C-N-CA 125.282 1.42 . . . . 0.0 113.034 -178.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.63 177.14 9.21 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.583 1.153 . . . . 0.0 110.634 173.147 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.3 t -125.14 154.38 33.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 169.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -130.67 143.08 50.5 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.006 1.322 . . . . 0.0 108.187 -177.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -124.03 148.06 28.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 171.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.6 tt -145.97 126.27 13.95 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 105.198 -2.149 . . . . 0.0 105.198 171.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -143.18 161.32 38.55 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 118.879 0.763 . . . . 0.0 111.061 -173.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -140.43 144.01 35.91 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 127.671 2.389 . . . . 0.0 107.058 174.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 161.18 -168.7 36.54 Favored Glycine 0 CA--C 1.528 0.865 0 CA-C-O 119.555 -0.58 . . . . 0.0 112.224 174.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -54.71 133.39 56.96 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 123.547 2.832 . . . . 0.0 110.408 172.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 pm0 -65.5 -27.43 68.47 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -173.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -69.87 -42.38 73.55 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 119.265 0.939 . . . . 0.0 111.047 172.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.71 -39.81 91.59 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 122.83 0.452 . . . . 0.0 110.091 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.4 mt -62.21 -48.01 81.88 Favored 'General case' 0 C--O 1.222 -0.371 0 C-N-CA 123.483 0.713 . . . . 0.0 110.439 175.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -59.39 -42.46 91.76 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 119.757 1.162 . . . . 0.0 110.656 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.8 m -61.34 -36.24 79.63 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 122.788 0.435 . . . . 0.0 111.007 175.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -69.52 -33.56 73.0 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 117.493 -1.241 . . . . 0.0 111.264 175.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.2 t -61.96 -42.62 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 121.17 1.805 . . . . 0.0 109.087 169.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -60.66 -38.27 84.32 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.125 0.875 . . . . 0.0 110.689 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.03 -50.52 65.9 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.286 0.494 . . . . 0.0 111.675 172.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.2 t -61.81 -46.86 95.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 C-N-CA 123.948 0.899 . . . . 0.0 110.156 -175.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -67.17 -21.16 65.81 Favored 'General case' 0 CA--C 1.53 0.212 0 CA-C-N 118.794 0.725 . . . . 0.0 112.297 -173.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -67.47 -29.11 68.48 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.698 0.681 . . . . 0.0 111.18 172.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.59 -178.67 35.07 Favored Glycine 0 CA--C 1.531 1.076 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 -156.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.9 157.67 74.33 Favored Pre-proline 0 CA--C 1.539 0.553 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 156.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 99.1 Cg_exo -46.66 -33.67 13.94 Favored 'Trans proline' 0 CA--C 1.543 0.951 0 C-N-CA 123.201 2.601 . . . . 0.0 113.992 164.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -74.15 -29.47 61.81 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.24 1.016 . . . . 0.0 112.826 176.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.5 m -78.4 176.46 9.33 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.734 1.614 . . . . 0.0 111.106 -176.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.5 pttt -144.12 114.55 7.55 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 154.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 99.9 t -69.93 136.52 25.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 164.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.4 p -119.13 -18.61 8.66 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.849 0.86 . . . . 0.0 110.741 175.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -155.04 151.89 28.95 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 124.347 1.059 . . . . 0.0 109.115 170.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.4 tt -150.4 147.88 15.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 125.289 1.436 . . . . 0.0 108.111 -178.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 57.3 m -138.75 144.89 39.66 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 126.098 1.759 . . . . 0.0 107.83 -176.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.3 t -136.63 144.72 31.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 C-N-CA 124.367 1.067 . . . . 0.0 108.416 -173.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.2 m -137.29 116.33 12.45 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 105.364 -2.087 . . . . 0.0 105.364 169.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -70.19 156.05 39.77 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 166.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.1 m -141.81 156.55 45.55 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 125.263 1.425 . . . . 0.0 108.062 -178.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -140.26 40.01 1.92 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.242 1.017 . . . . 0.0 108.433 -176.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.5 m -138.23 65.49 1.47 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 127.179 2.192 . . . . 0.0 106.199 -171.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 66.7 mt -49.12 148.57 2.36 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 127.048 2.139 . . . . 0.0 114.725 -155.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -72.96 -34.73 66.68 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.951 1.3 . . . . 0.0 109.995 171.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.43 18.24 49.97 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 124.238 0.923 . . . . 0.0 113.189 -174.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -72.92 166.52 22.87 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.323 1.049 . . . . 0.0 110.444 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 34.7 p80 -127.68 3.76 6.11 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.48 1.112 . . . . 0.0 112.423 -175.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -148.09 165.27 31.32 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 124.796 1.239 . . . . 0.0 108.966 176.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -97.57 153.2 18.33 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 166.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.0 m -141.14 159.02 43.11 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 118.543 0.61 . . . . 0.0 112.02 -176.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 28.1 mt -103.38 130.76 53.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 N-CA-C 104.463 -2.421 . . . . 0.0 104.463 166.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 80.0 t -133.27 160.2 42.56 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 125.315 1.446 . . . . 0.0 107.567 -169.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -141.05 3.36 1.79 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.247 1.019 . . . . 0.0 112.198 177.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.2 m . . . . . 0 C--O 1.25 1.13 0 C-N-CA 124.947 1.299 . . . . 0.0 110.585 179.285 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.7 mmt . . . . . 0 N--CA 1.486 1.346 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 48.5 tp -139.17 170.9 15.12 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.812 1.645 . . . . 0.0 108.113 -177.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -148.34 148.92 30.93 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 126.542 1.937 . . . . 0.0 107.05 -174.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -145.91 166.64 25.39 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 123.057 0.543 . . . . 0.0 111.016 166.453 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.9 ttm-85 -120.2 140.1 51.66 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 163.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 52.4 mt -133.41 139.51 48.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 -179.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.8 mm -115.44 142.77 27.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 N-CA-C 105.358 -2.09 . . . . 0.0 105.358 172.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.7 t -138.03 138.64 43.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 107.009 -1.478 . . . . 0.0 107.009 -175.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -140.73 154.07 46.17 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 124.804 1.242 . . . . 0.0 109.457 -176.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.82 -158.41 23.81 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 109.217 -1.553 . . . . 0.0 109.217 -172.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -75.09 79.79 2.25 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 163.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.9 m -130.15 2.58 2.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 124.392 1.077 . . . . 0.0 111.363 -177.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -133.85 162.82 30.97 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 165.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 71.58 12.08 73.31 Favored Glycine 0 CA--C 1.538 1.515 0 N-CA-C 111.703 -0.559 . . . . 0.0 111.703 -161.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.4 m -145.67 160.13 12.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 128.217 2.607 . . . . 0.0 106.154 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.02 20.91 2.29 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 124.041 0.829 . . . . 0.0 114.67 -170.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -59.27 -34.02 71.75 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.856 1.328 . . . . 0.0 112.487 -172.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -47.6 64.69 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.165 0.586 . . . . 0.0 110.041 175.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -71.81 -39.85 69.55 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 118.657 -0.687 . . . . 0.0 110.216 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -56.02 -50.98 69.38 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-N 118.856 0.753 . . . . 0.0 110.432 178.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.8 t -58.07 -47.76 86.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 123.647 0.779 . . . . 0.0 109.62 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -58.72 -46.92 86.27 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.805 0.729 . . . . 0.0 111.08 178.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 66.4 mtt -70.9 -33.46 70.58 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.804 -0.56 . . . . 0.0 110.793 -173.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -68.26 -37.2 80.49 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.447 0.567 . . . . 0.0 110.799 173.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.01 -42.53 94.35 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.899 0.772 . . . . 0.0 110.523 173.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -66.22 -42.07 89.22 Favored 'General case' 0 C--O 1.228 -0.055 0 C-N-CA 123.763 0.825 . . . . 0.0 111.615 -177.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.06 -25.25 65.26 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 119.931 1.241 . . . . 0.0 111.712 176.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -83.64 -1.63 54.38 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.823 0.738 . . . . 0.0 112.469 168.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt 43.87 41.93 4.17 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 126.951 2.1 . . . . 0.0 112.915 -172.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.1 mt -74.92 168.97 18.89 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 163.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.59 148.8 52.43 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.276 1.03 . . . . 0.0 108.239 173.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 160.58 -156.13 27.39 Favored Glycine 0 CA--C 1.527 0.793 0 CA-C-N 118.431 0.56 . . . . 0.0 114.076 -169.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 1.6 p90 -142.81 166.97 23.2 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 124.149 0.98 . . . . 0.0 111.05 169.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.7 p -135.99 137.94 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 168.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -149.61 159.72 44.09 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 113.129 0.788 . . . . 0.0 113.129 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -64.45 131.12 46.24 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 155.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -86.71 148.86 25.25 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 167.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -54.69 -32.39 59.34 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -175.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -64.59 -21.18 66.64 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.402 1.081 . . . . 0.0 113.305 176.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.11 -1.46 29.88 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 125.813 1.673 . . . . 0.0 113.039 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -78.53 175.67 10.13 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 118.83 1.315 . . . . 0.0 109.12 175.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 80.8 t -97.94 148.0 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 106.145 -1.798 . . . . 0.0 106.145 164.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -134.64 137.0 43.28 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 125.964 1.706 . . . . 0.0 106.99 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.0 mt -131.33 142.73 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 N-CA-C 104.439 -2.43 . . . . 0.0 104.439 -175.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.7 tt -142.54 122.49 13.6 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 105.149 -2.167 . . . . 0.0 105.149 175.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -143.59 158.03 43.97 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 118.31 0.504 . . . . 0.0 110.343 -174.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -138.27 155.62 48.44 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 126.067 1.747 . . . . 0.0 109.621 173.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 159.3 -167.84 35.11 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 124.427 1.013 . . . . 0.0 110.66 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.32 149.35 63.2 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 122.133 1.888 . . . . 0.0 110.209 174.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -58.02 -42.91 86.31 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.862 0.865 . . . . 0.0 111.689 -170.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -68.59 -37.91 80.23 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 118.73 0.696 . . . . 0.0 111.907 -176.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.91 -40.9 91.92 Favored 'General case' 0 C--N 1.338 0.078 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 175.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.0 mt -62.14 -42.45 99.26 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 118.378 -0.82 . . . . 0.0 110.581 175.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -62.39 -46.21 89.64 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.896 1.225 . . . . 0.0 110.031 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.1 m -57.58 -37.83 73.85 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.626 0.77 . . . . 0.0 110.606 176.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -70.35 -34.35 72.52 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 117.532 -1.223 . . . . 0.0 111.593 176.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.2 t -63.25 -41.32 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-N 121.381 1.901 . . . . 0.0 109.566 170.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -59.42 -39.74 84.47 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.253 0.933 . . . . 0.0 110.308 178.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.84 -49.43 70.63 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 122.589 0.356 . . . . 0.0 111.288 174.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 48.5 t -63.55 -46.11 95.87 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 123.513 0.725 . . . . 0.0 110.34 -175.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -67.6 -17.19 64.54 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.897 0.771 . . . . 0.0 112.684 -176.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -68.66 -27.4 65.95 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.025 0.829 . . . . 0.0 111.223 171.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.34 175.36 12.58 Favored Glycine 0 CA--C 1.532 1.121 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 -155.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 83.0 p -70.63 160.68 80.88 Favored Pre-proline 0 C--O 1.237 0.437 0 C-N-CA 118.419 -1.313 . . . . 0.0 108.175 161.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -49.8 -3.27 0.05 OUTLIER 'Trans proline' 0 CA--C 1.546 1.111 0 C-N-CA 124.478 3.452 . . . . 0.0 116.058 160.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -125.85 9.88 7.62 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.965 1.706 . . . . 0.0 111.34 -177.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.1 m -130.36 171.42 12.96 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.914 1.285 . . . . 0.0 110.178 -177.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -142.09 90.1 2.23 Favored 'General case' 0 CA--C 1.523 -0.084 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 174.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.2 p -59.69 136.13 23.6 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 161.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.4 p -121.91 -14.96 7.96 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.519 1.127 . . . . 0.0 110.775 175.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -152.93 145.24 23.98 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.414 1.086 . . . . 0.0 109.454 174.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 11.2 tt -144.37 143.71 23.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 125.669 1.588 . . . . 0.0 107.603 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 64.5 m -140.75 130.99 24.96 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 125.133 1.373 . . . . 0.0 107.843 -176.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.2 p -128.67 145.67 35.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 C-N-CA 124.886 1.274 . . . . 0.0 110.852 -173.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.0 m -138.02 115.94 11.58 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 105.703 -1.962 . . . . 0.0 105.703 174.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -67.13 162.82 21.53 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.791 0.805 . . . . 0.0 109.102 167.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.7 m -152.88 162.77 40.88 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 124.722 1.209 . . . . 0.0 108.36 174.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -139.78 35.07 1.98 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.147 0.979 . . . . 0.0 108.927 -171.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.3 m -136.62 62.4 1.61 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.772 2.029 . . . . 0.0 106.356 -172.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.4 mp -54.78 154.65 4.9 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.989 1.716 . . . . 0.0 113.659 -160.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -69.92 -39.99 75.82 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.071 1.349 . . . . 0.0 109.657 176.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.45 37.3 94.58 Favored Glycine 0 CA--C 1.534 1.227 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 -166.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.98 167.08 22.44 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.021 1.328 . . . . 0.0 109.341 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -141.35 23.43 2.16 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.846 0.858 . . . . 0.0 110.618 -178.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -159.93 172.32 17.79 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 125.886 1.674 . . . . 0.0 107.995 -173.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -122.97 133.37 54.38 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 164.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.0 m -122.19 160.46 25.12 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.541 0.736 . . . . 0.0 111.343 -167.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 10.9 mt -118.47 135.82 57.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 106.824 -1.547 . . . . 0.0 106.824 175.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.87 -179.17 1.75 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 C-N-CA 124.016 0.926 . . . . 0.0 109.748 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -136.99 1.69 2.51 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.355 1.062 . . . . 0.0 112.952 -172.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 C--O 1.251 1.159 0 CA-C-O 117.841 -1.076 . . . . 0.0 110.068 -161.564 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 mmt . . . . . 0 N--CA 1.486 1.349 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.4 mt -134.76 177.92 7.41 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 125.428 1.491 . . . . 0.0 107.956 173.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -142.94 151.53 41.05 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.498 1.519 . . . . 0.0 108.098 177.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -143.07 167.23 22.57 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.103 0.477 . . . . 0.0 110.821 163.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -129.05 134.24 48.03 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 105.375 -2.083 . . . . 0.0 105.375 169.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.9 mt -131.79 137.02 55.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 106.055 -1.832 . . . . 0.0 106.055 -172.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.2 mm -112.12 141.34 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 105.203 -2.147 . . . . 0.0 105.203 174.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.6 t -134.96 134.68 53.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 106.492 -1.67 . . . . 0.0 106.492 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -132.09 149.64 52.36 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 125.271 1.428 . . . . 0.0 108.438 -173.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 137.03 -159.54 24.66 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 110.441 -1.063 . . . . 0.0 110.441 -178.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.6 ttt-85 -75.86 75.75 2.79 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 107.085 -1.45 . . . . 0.0 107.085 168.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.5 m -130.05 5.43 2.31 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 125.224 1.41 . . . . 0.0 110.776 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -136.22 150.9 49.18 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 106.241 -1.763 . . . . 0.0 106.241 174.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.99 1.83 63.88 Favored Glycine 0 CA--C 1.539 1.585 0 N-CA-C 111.969 -0.452 . . . . 0.0 111.969 -156.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.8 m -142.82 154.06 17.39 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 C-N-CA 128.123 2.569 . . . . 0.0 106.087 175.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.96 35.3 2.74 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-O 118.99 -0.894 . . . . 0.0 114.767 -161.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -55.94 -35.41 66.62 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 119.203 1.502 . . . . 0.0 112.693 -174.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.2 mtm-85 -56.31 -39.2 72.37 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.349 -0.844 . . . . 0.0 111.329 176.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -71.14 -39.55 71.91 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 118.94 0.791 . . . . 0.0 110.585 178.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -56.76 -52.34 65.38 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.786 0.721 . . . . 0.0 109.596 175.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.1 t -61.28 -40.13 84.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 123.242 0.617 . . . . 0.0 110.159 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -55.88 -50.11 71.53 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-N 118.998 0.817 . . . . 0.0 110.405 178.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 77.1 mtm -71.45 -36.81 71.36 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 119.461 -0.304 . . . . 0.0 110.594 -175.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -67.19 -32.45 73.53 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 118.454 0.57 . . . . 0.0 111.741 177.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.87 -43.21 65.83 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.918 0.781 . . . . 0.0 110.623 173.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -65.32 -44.68 87.04 Favored 'General case' 0 C--O 1.231 0.102 0 C-N-CA 123.769 0.828 . . . . 0.0 111.423 -175.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -18.59 64.18 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 118.571 0.623 . . . . 0.0 112.307 175.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 tpt85 -103.02 7.44 39.04 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.42 1.088 . . . . 0.0 111.383 176.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.6 mttm 47.77 34.37 3.78 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.906 2.082 . . . . 0.0 112.985 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.1 mt -75.3 165.75 24.68 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 172.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.64 146.52 50.98 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.046 0.938 . . . . 0.0 109.006 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 141.55 -154.11 24.5 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-N 118.177 0.444 . . . . 0.0 112.103 -167.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 3.1 p90 -137.51 162.47 33.63 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 117.83 0.815 . . . . 0.0 112.741 -178.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.6 p -132.65 142.72 41.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 156.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -161.7 171.63 17.6 Favored 'General case' 0 C--N 1.335 -0.056 0 C-N-CA 123.198 0.599 . . . . 0.0 112.276 -172.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -64.63 157.02 28.24 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.46 0.704 . . . . 0.0 109.748 162.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 56.3 ttt85 -129.25 136.51 50.19 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 165.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -60.67 -26.43 67.08 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.765 1.226 . . . . 0.0 113.946 -163.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -61.56 -21.48 64.32 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.111 0.564 . . . . 0.0 112.341 175.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.59 29.95 1.48 Allowed Glycine 0 CA--C 1.527 0.802 0 C-N-CA 125.195 1.379 . . . . 0.0 112.066 175.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.8 mmt180 -125.4 179.1 5.26 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.825 1.313 . . . . 0.0 109.84 -170.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.3 t -102.97 148.51 8.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 105.521 -2.029 . . . . 0.0 105.521 164.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -131.58 138.98 49.07 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 177.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.8 mt -128.65 143.38 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 N-CA-C 104.462 -2.422 . . . . 0.0 104.462 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.4 tt -144.63 127.7 16.57 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 105.164 -2.161 . . . . 0.0 105.164 175.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -141.91 147.24 36.76 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 118.373 0.533 . . . . 0.0 110.035 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -116.52 153.56 31.95 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 125.556 1.542 . . . . 0.0 108.599 164.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 161.1 -171.62 37.18 Favored Glycine 0 CA--C 1.528 0.898 0 CA-C-O 119.677 -0.513 . . . . 0.0 112.768 176.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -57.48 149.14 68.21 Favored 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 123.911 3.074 . . . . 0.0 111.616 171.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -59.48 -45.56 91.32 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.162 0.585 . . . . 0.0 110.923 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -65.08 -40.59 94.84 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 118.387 0.539 . . . . 0.0 111.228 -177.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.58 -46.54 85.4 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 123.042 0.537 . . . . 0.0 110.231 176.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.5 mt -62.01 -45.74 92.27 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.53 0.732 . . . . 0.0 110.662 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -60.7 -45.76 92.97 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.118 0.872 . . . . 0.0 110.485 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.8 m -57.87 -39.17 77.17 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 120.899 0.38 . . . . 0.0 110.508 176.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -70.01 -32.57 70.81 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 117.424 -1.274 . . . . 0.0 111.396 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.5 t -62.51 -44.66 99.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 121.289 1.859 . . . . 0.0 109.545 168.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -59.07 -37.98 78.36 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 119.104 0.866 . . . . 0.0 110.515 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.17 -51.26 59.53 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.034 0.534 . . . . 0.0 111.367 173.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.6 t -63.81 -44.22 98.13 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 C-N-CA 124.069 0.948 . . . . 0.0 110.642 -173.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 44.1 pttt -66.99 -19.04 65.65 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.95 0.796 . . . . 0.0 112.657 -174.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -68.45 -28.32 66.95 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.712 0.687 . . . . 0.0 111.257 172.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.45 172.57 11.5 Favored Glycine 0 CA--C 1.533 1.172 0 N-CA-C 110.245 -1.142 . . . . 0.0 110.245 -158.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 27.3 t -65.2 144.85 99.12 Favored Pre-proline 0 CA--C 1.534 0.345 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 161.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -48.59 -27.44 10.63 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 123.494 2.796 . . . . 0.0 114.138 165.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -89.87 -0.37 57.52 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.277 1.031 . . . . 0.0 112.663 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.9 m -125.77 176.38 6.96 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.233 1.813 . . . . 0.0 109.514 -174.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.9 ttmt -144.69 95.72 2.75 Favored 'General case' 0 N--CA 1.461 0.125 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 175.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.3 p -59.74 137.43 22.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 162.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 54.0 p -120.2 -18.57 7.99 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.388 1.075 . . . . 0.0 110.867 174.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -154.42 150.92 28.39 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 124.227 1.011 . . . . 0.0 109.543 173.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.8 tt -146.31 146.01 19.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 125.776 1.63 . . . . 0.0 108.295 -176.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.3 m -139.74 149.15 43.25 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 125.752 1.621 . . . . 0.0 108.448 -176.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 50.2 t -139.96 145.06 27.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 C-N-CA 124.208 1.003 . . . . 0.0 109.073 -171.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.5 m -137.96 140.82 40.44 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 106.077 -1.823 . . . . 0.0 106.077 166.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -126.57 158.54 35.98 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.074 0.949 . . . . 0.0 110.883 -175.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.1 t -159.55 175.3 13.41 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.814 1.246 . . . . 0.0 110.237 -174.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -124.97 1.29 8.0 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.784 1.633 . . . . 0.0 110.006 169.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.1 m -80.6 134.96 35.98 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 105.651 -1.981 . . . . 0.0 105.651 163.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.5 mt -118.57 170.04 9.29 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 -165.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -95.25 -5.2 44.26 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.671 0.788 . . . . 0.0 111.515 -175.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 61.91 20.45 59.98 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 124.685 1.136 . . . . 0.0 112.188 -174.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -77.03 158.45 30.55 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.21 1.005 . . . . 0.0 110.104 -177.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 35.5 p80 -131.69 2.61 4.1 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.657 1.183 . . . . 0.0 112.061 -178.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -148.21 167.06 26.08 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 125.806 1.642 . . . . 0.0 108.017 174.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -95.56 150.69 20.06 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 166.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.5 m -140.83 158.81 43.42 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 118.33 0.514 . . . . 0.0 111.688 -175.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 36.4 mt -103.03 133.76 45.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 N-CA-C 105.025 -2.213 . . . . 0.0 105.025 167.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.9 t -133.4 172.14 16.89 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 N-CA-C 106.535 -1.654 . . . . 0.0 106.535 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -135.81 0.46 2.68 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 -166.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.8 m . . . . . 0 C--O 1.249 1.042 0 C-N-CA 124.881 1.272 . . . . 0.0 107.836 179.734 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 81.0 mmm . . . . . 0 N--CA 1.481 1.105 0 CA-C-O 121.141 0.496 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 51.1 tp -145.67 169.85 17.65 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 126.322 1.849 . . . . 0.0 107.235 -178.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -146.4 148.65 32.54 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.689 1.196 . . . . 0.0 107.81 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -141.56 168.17 20.41 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.399 0.619 . . . . 0.0 111.142 171.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 -129.04 137.0 51.05 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 105.039 -2.208 . . . . 0.0 105.039 164.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.7 mt -130.98 140.94 47.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 106.271 -1.751 . . . . 0.0 106.271 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 23.6 mm -118.28 140.51 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 105.092 -2.188 . . . . 0.0 105.092 176.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.1 t -134.23 141.31 44.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 -174.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.408 ' CG ' ' HE ' ' A' ' 41' ' ' ARG . 21.4 t0 -136.38 150.72 48.94 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 126.283 1.833 . . . . 0.0 108.657 -175.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.68 -159.64 23.52 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 124.849 1.214 . . . . 0.0 110.153 -177.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 59.2 ttp85 -78.58 79.23 5.01 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 168.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 36.0 m -130.05 6.46 2.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 C-N-CA 125.014 1.325 . . . . 0.0 111.346 -174.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -131.66 162.55 30.14 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 169.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.86 -54.72 4.19 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 -162.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.3 m -63.63 147.27 12.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 159.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.76 37.68 2.66 Favored Glycine 0 CA--C 1.528 0.861 0 C-N-CA 124.548 1.07 . . . . 0.0 113.659 -170.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -56.02 -33.95 65.4 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 118.577 1.188 . . . . 0.0 112.92 -173.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.3 mtm-85 -57.94 -38.66 76.37 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 120.966 -1.084 . . . . 0.0 111.277 175.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -71.39 -38.57 71.49 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.665 0.666 . . . . 0.0 110.511 176.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -57.31 -51.7 68.33 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.895 0.77 . . . . 0.0 109.676 175.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.6 t -59.83 -40.75 83.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 C-N-CA 123.741 0.816 . . . . 0.0 110.076 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.77 -49.13 76.2 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 119.239 0.927 . . . . 0.0 110.803 178.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.4 mtt -71.51 -37.67 71.19 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 122.468 0.307 . . . . 0.0 110.248 -175.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -68.25 -30.54 69.6 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 119.152 -0.451 . . . . 0.0 111.691 178.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.98 -44.24 63.83 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 118.734 0.697 . . . . 0.0 110.429 172.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -65.06 -44.95 87.33 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 123.862 0.865 . . . . 0.0 111.323 -174.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.31 -15.73 58.18 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 175.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.0 tpt85 -109.02 9.2 26.44 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.817 1.247 . . . . 0.0 111.176 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.5 mttt 47.92 34.55 4.13 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.829 2.051 . . . . 0.0 113.14 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.6 mt -76.29 168.22 20.44 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 121.835 -0.541 . . . . 0.0 109.755 173.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -139.11 153.05 47.95 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.448 1.099 . . . . 0.0 109.082 176.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 138.55 -150.35 21.04 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -168.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 14.3 p90 -143.45 165.65 26.95 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 118.366 1.083 . . . . 0.0 112.832 176.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.2 p -129.58 144.69 37.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 159.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -152.5 159.6 43.31 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 121.191 0.52 . . . . 0.0 112.375 -175.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -63.36 143.78 57.52 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 161.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.7 ttp180 -113.08 140.7 47.65 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 169.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.94 -28.46 70.09 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 113.091 0.775 . . . . 0.0 113.091 -166.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -72.17 -8.66 55.97 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.429 1.091 . . . . 0.0 112.93 176.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.3 -3.98 29.79 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 125.307 1.432 . . . . 0.0 112.79 177.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.408 ' HE ' ' CG ' ' A' ' 9' ' ' ASP . 0.3 OUTLIER -83.59 178.13 8.12 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 119.178 1.489 . . . . 0.0 109.75 178.524 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.9 t -112.28 142.14 25.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 169.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -116.51 139.28 50.65 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 106.484 -1.673 . . . . 0.0 106.484 173.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.2 mt -127.73 140.9 47.88 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 N-CA-C 104.401 -2.444 . . . . 0.0 104.401 176.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.9 tt -145.47 122.6 11.46 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 105.345 -2.094 . . . . 0.0 105.345 178.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -143.99 150.82 38.87 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 118.459 0.572 . . . . 0.0 110.657 -173.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -121.26 152.2 39.15 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 125.65 1.58 . . . . 0.0 108.736 167.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 165.77 -176.52 41.21 Favored Glycine 0 CA--C 1.526 0.752 0 CA-C-O 119.856 -0.413 . . . . 0.0 112.257 176.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -54.94 144.93 65.31 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 123.381 2.721 . . . . 0.0 111.271 167.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -58.28 -38.04 76.21 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.491 0.717 . . . . 0.0 111.504 -178.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -68.37 -44.83 74.31 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 121.548 -0.72 . . . . 0.0 110.706 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.02 -44.82 94.35 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 123.235 0.614 . . . . 0.0 110.413 177.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 55.1 mt -63.62 -40.89 98.06 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 118.432 -0.794 . . . . 0.0 110.828 177.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -61.63 -45.31 94.63 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 120.262 1.392 . . . . 0.0 111.287 177.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.6 m -56.77 -38.18 72.12 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 118.549 0.613 . . . . 0.0 110.862 173.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -69.54 -34.46 74.26 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 117.444 -1.265 . . . . 0.0 111.437 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.0 t -62.73 -44.94 99.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 121.104 1.775 . . . . 0.0 108.87 170.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.02 -35.97 76.22 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.779 0.718 . . . . 0.0 111.154 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.44 -51.11 55.42 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.134 0.574 . . . . 0.0 111.123 173.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.9 t -63.77 -44.5 98.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 124.215 1.006 . . . . 0.0 110.808 -173.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -64.59 -21.26 66.66 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.94 0.791 . . . . 0.0 112.554 -174.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -69.85 -27.19 64.64 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 118.344 0.52 . . . . 0.0 111.824 174.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.74 -174.87 38.76 Favored Glycine 0 CA--C 1.533 1.162 0 N-CA-C 109.415 -1.474 . . . . 0.0 109.415 -155.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.76 156.47 83.11 Favored Pre-proline 0 CA--C 1.54 0.59 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 157.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -47.33 -34.19 18.19 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 123.145 2.563 . . . . 0.0 113.803 167.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -77.21 -25.52 51.78 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.058 0.943 . . . . 0.0 113.179 178.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.1 m -78.38 177.24 8.63 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.195 1.398 . . . . 0.0 111.806 -174.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -141.09 101.2 3.98 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 164.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.0 t -64.54 135.83 27.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 N-CA-C 106.71 -1.589 . . . . 0.0 106.71 163.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 77.2 p -117.89 -21.28 8.44 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.707 0.803 . . . . 0.0 110.73 172.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -155.26 153.99 31.47 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 124.115 0.966 . . . . 0.0 109.379 172.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.0 tt -149.45 144.96 17.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 C-N-CA 125.8 1.64 . . . . 0.0 107.821 -176.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 42.8 m -139.07 151.69 46.95 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.5 1.52 . . . . 0.0 108.455 -176.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.1 t -138.12 146.18 27.43 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 C-N-CA 123.931 0.892 . . . . 0.0 109.1 -168.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -135.06 144.04 47.02 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 127.186 2.195 . . . . 0.0 105.125 172.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -130.76 143.39 50.71 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 119.737 1.153 . . . . 0.0 108.888 -177.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.0 m -151.23 170.05 20.44 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.938 1.295 . . . . 0.0 109.801 -165.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -135.48 32.38 3.07 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.679 1.192 . . . . 0.0 108.333 176.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.3 m -118.8 55.67 0.92 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.772 1.629 . . . . 0.0 107.996 -159.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.1 mp -44.31 139.96 2.44 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 127.465 2.306 . . . . 0.0 112.702 -164.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -73.65 -37.74 65.2 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.806 1.242 . . . . 0.0 109.75 175.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 59.31 37.43 91.89 Favored Glycine 0 CA--C 1.534 1.243 0 N-CA-C 110.621 -0.992 . . . . 0.0 110.621 -164.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -68.61 146.79 52.73 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.119 0.968 . . . . 0.0 109.479 -174.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -70.55 -27.76 64.4 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -174.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -159.53 177.69 10.67 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 126.198 1.799 . . . . 0.0 108.216 -175.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -85.15 140.82 30.64 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 159.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.5 m -132.97 161.75 33.49 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 119.272 0.942 . . . . 0.0 111.679 -172.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.2 mt -105.38 134.37 47.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 104.711 -2.329 . . . . 0.0 104.711 165.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 58.8 t -132.29 153.02 37.59 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 -174.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -135.89 2.06 2.82 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.609 0.764 . . . . 0.0 112.353 -169.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.2 m . . . . . 0 C--O 1.25 1.115 0 C-N-CA 125.197 1.399 . . . . 0.0 110.647 179.747 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 mmt . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 39.6 tp -148.62 166.36 28.55 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 125.626 1.57 . . . . 0.0 108.065 -178.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -134.85 148.54 50.17 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 125.343 1.457 . . . . 0.0 107.942 175.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -138.71 169.94 16.89 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.344 0.592 . . . . 0.0 110.821 167.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -129.89 138.69 51.07 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 105.887 -1.894 . . . . 0.0 105.887 164.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.8 mt -132.98 142.75 41.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 107.1 -1.444 . . . . 0.0 107.1 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.7 mm -114.31 143.71 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 173.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.5 t -136.72 135.63 48.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -125.14 155.14 40.39 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 126.428 1.891 . . . . 0.0 109.11 178.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.2 -157.37 22.85 Favored Glycine 0 CA--C 1.525 0.69 0 C-N-CA 125.111 1.338 . . . . 0.0 111.149 176.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.4 ttt85 -72.08 79.55 0.94 Allowed 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 160.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.2 m -136.0 8.11 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 C-N-CA 123.667 0.787 . . . . 0.0 111.7 -172.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -141.65 166.0 25.94 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 165.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.37 -50.89 4.1 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 -166.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.1 m -59.64 150.25 6.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 153.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.96 34.11 1.69 Allowed Glycine 0 CA--C 1.529 0.963 0 C-N-CA 124.381 0.991 . . . . 0.0 113.201 -175.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -61.88 -33.89 75.02 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.406 1.103 . . . . 0.0 111.881 -172.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 79.9 mtm-85 -59.85 -38.06 81.05 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 120.07 1.304 . . . . 0.0 110.812 177.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -69.56 -39.27 77.49 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.052 0.541 . . . . 0.0 110.492 175.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -57.62 -52.63 64.64 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.582 0.628 . . . . 0.0 109.86 175.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.0 t -58.14 -42.95 84.44 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 124.163 0.985 . . . . 0.0 109.784 177.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -55.83 -50.42 70.59 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 118.558 0.617 . . . . 0.0 110.813 179.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.5 mmt -79.44 -29.35 41.8 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 119.391 -0.338 . . . . 0.0 111.219 -171.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -67.42 -39.91 85.51 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 118.643 0.656 . . . . 0.0 110.46 172.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.92 -42.82 97.28 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 119.105 0.866 . . . . 0.0 110.296 174.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -62.66 -45.77 91.29 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.151 0.58 . . . . 0.0 111.605 -178.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -26.33 64.76 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 119.205 0.911 . . . . 0.0 111.842 177.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -81.77 4.82 20.65 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.408 0.683 . . . . 0.0 112.297 169.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.6 mttt 50.04 32.86 6.15 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 126.635 1.974 . . . . 0.0 112.774 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.5 mt -78.52 165.66 23.48 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 123.804 0.842 . . . . 0.0 109.496 175.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -131.57 152.43 50.79 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.454 1.101 . . . . 0.0 108.765 174.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 137.21 -148.21 19.66 Favored Glycine 0 CA--C 1.529 0.966 0 CA-C-N 118.465 0.575 . . . . 0.0 111.769 -169.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 3.0 p90 -145.4 166.91 24.23 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -178.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 p -132.84 146.47 32.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 C-N-CA 125.326 1.45 . . . . 0.0 107.282 158.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.7 pttt -151.99 162.64 40.76 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 123.571 0.748 . . . . 0.0 111.815 177.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -63.58 127.5 31.64 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 157.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.6 ttp180 -83.77 146.84 27.94 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 168.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -57.29 -30.79 65.01 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -168.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -76.83 -15.58 59.68 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.596 1.158 . . . . 0.0 113.4 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.21 -10.72 17.34 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 125.313 1.435 . . . . 0.0 114.077 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.18 174.24 4.86 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 119.938 1.869 . . . . 0.0 109.868 170.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 66.6 t -99.41 143.1 13.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 106.138 -1.801 . . . . 0.0 106.138 166.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -122.94 135.39 54.47 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 170.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 24.1 mt -128.93 142.93 42.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 104.685 -2.339 . . . . 0.0 104.685 -174.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.2 tt -146.8 123.85 11.42 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 106.004 -1.851 . . . . 0.0 106.004 177.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.13 147.56 33.88 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 118.592 0.633 . . . . 0.0 111.031 -172.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -128.09 155.52 44.26 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 126.168 1.787 . . . . 0.0 109.556 173.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 154.63 -165.97 32.17 Favored Glycine 0 CA--C 1.53 0.97 0 CA-C-O 119.512 -0.605 . . . . 0.0 111.7 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.58 131.53 43.01 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 123.544 2.83 . . . . 0.0 111.008 172.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -56.89 -28.61 62.1 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.925 0.89 . . . . 0.0 113.4 -177.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -69.97 -34.82 73.87 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 120.902 -1.123 . . . . 0.0 111.813 173.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.44 -36.43 63.39 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.2 mp -59.51 -51.53 69.46 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-O 118.477 -0.773 . . . . 0.0 110.315 171.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -58.06 -45.23 87.42 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 119.903 1.228 . . . . 0.0 110.944 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.6 m -60.01 -37.75 80.61 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.027 0.441 . . . . 0.0 111.219 176.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -69.28 -31.24 69.61 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 117.188 -1.387 . . . . 0.0 111.236 175.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.9 t -62.68 -44.7 99.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-N 121.666 2.03 . . . . 0.0 108.747 169.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -58.35 -39.75 80.36 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.089 0.859 . . . . 0.0 110.364 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.57 -49.11 70.06 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 174.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.7 t -67.87 -47.34 79.7 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 C-N-CA 124.327 1.051 . . . . 0.0 110.558 -172.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -63.22 -26.24 68.7 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.772 0.715 . . . . 0.0 111.444 -174.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -65.19 -28.74 69.6 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.377 0.671 . . . . 0.0 111.667 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.43 -178.31 38.65 Favored Glycine 0 CA--C 1.528 0.888 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 -156.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 54.5 p -68.56 160.9 74.35 Favored Pre-proline 0 CA--C 1.538 0.505 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 160.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_exo -46.98 -19.23 0.74 Allowed 'Trans proline' 0 CA--C 1.543 0.974 0 C-N-CA 123.839 3.026 . . . . 0.0 115.554 161.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -97.98 -16.63 19.59 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.322 1.049 . . . . 0.0 112.228 179.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.7 m -79.36 173.99 12.02 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.159 1.384 . . . . 0.0 111.601 -177.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -140.09 94.99 2.82 Favored 'General case' 0 C--O 1.231 0.087 0 N-CA-C 106.027 -1.842 . . . . 0.0 106.027 158.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.3 t -62.07 137.17 24.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 167.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.6 p -117.14 -22.62 8.27 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.354 0.661 . . . . 0.0 110.89 175.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -159.3 149.89 19.47 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.253 1.021 . . . . 0.0 109.747 175.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 7.9 pt -131.47 159.52 43.0 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 C-N-CA 125.011 1.324 . . . . 0.0 109.025 171.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.9 m -140.73 156.01 46.3 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 125.214 1.405 . . . . 0.0 108.004 173.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 37.2 t -140.8 146.2 24.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-N 118.708 0.685 . . . . 0.0 109.597 -168.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.7 143.37 50.7 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 105.062 -2.199 . . . . 0.0 105.062 166.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -135.22 139.91 44.86 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 119.953 1.252 . . . . 0.0 108.258 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 70.9 m -149.81 137.25 19.9 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.089 0.956 . . . . 0.0 108.904 -173.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.4 ttp180 -86.67 52.87 2.63 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 169.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.5 m -138.91 103.8 4.9 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 -168.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.8 mp -73.78 149.57 41.64 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.569 0.748 . . . . 0.0 110.001 -173.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -87.6 -16.66 33.9 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.151 1.381 . . . . 0.0 111.021 170.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.33 25.86 63.24 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.688 1.137 . . . . 0.0 113.182 179.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -73.67 167.15 21.96 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.121 0.961 . . . . 0.0 109.668 175.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -128.13 12.01 6.56 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.512 1.125 . . . . 0.0 111.2 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -150.62 165.73 32.47 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 125.703 1.601 . . . . 0.0 107.908 176.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -92.38 153.97 18.83 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 154.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.1 m -133.27 149.73 51.94 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.411 0.684 . . . . 0.0 110.633 -171.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 33.2 mt -100.97 132.08 47.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 N-CA-C 103.712 -2.699 . . . . 0.0 103.712 157.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.3 p -141.3 177.18 3.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 -176.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -143.54 7.72 1.52 Allowed 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.873 0.869 . . . . 0.0 112.322 -173.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.7 m . . . . . 0 C--O 1.249 1.034 0 C-N-CA 124.993 1.317 . . . . 0.0 111.48 -173.26 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 mmt . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.814 0.34 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 43.9 tp -137.73 172.92 12.24 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.741 1.616 . . . . 0.0 107.641 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -148.36 151.68 35.74 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 125.579 1.552 . . . . 0.0 107.62 -177.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -146.33 168.38 21.25 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 123.237 0.615 . . . . 0.0 110.735 165.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -126.76 137.93 53.3 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 105.46 -2.052 . . . . 0.0 105.46 167.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.2 mt -134.39 142.7 40.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 -172.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.3 mm -120.12 143.03 33.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 N-CA-C 105.51 -2.033 . . . . 0.0 105.51 173.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.6 t -136.12 132.65 50.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 -177.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -119.08 153.79 34.21 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 126.188 1.795 . . . . 0.0 109.004 -176.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.85 -156.73 21.85 Favored Glycine 0 CA--C 1.522 0.529 0 C-N-CA 124.23 0.919 . . . . 0.0 111.61 173.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.8 ttp-105 -73.94 82.6 1.7 Allowed 'General case' 0 N--CA 1.462 0.133 0 N-CA-C 106.126 -1.805 . . . . 0.0 106.126 163.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.4 m -132.37 9.73 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 123.632 0.773 . . . . 0.0 111.298 -174.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -141.58 165.65 26.91 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.097 1.359 . . . . 0.0 107.547 167.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.82 -50.79 3.94 Favored Glycine 0 CA--C 1.529 0.943 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 -166.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.7 m -59.09 150.34 5.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 153.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.41 31.2 1.88 Allowed Glycine 0 CA--C 1.529 0.953 0 C-N-CA 124.256 0.931 . . . . 0.0 113.771 -172.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -59.96 -32.7 71.07 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 118.442 1.121 . . . . 0.0 112.306 -171.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -53.05 -46.15 68.37 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 119.085 0.857 . . . . 0.0 110.291 175.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -73.82 -36.93 65.01 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.246 0.618 . . . . 0.0 110.471 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -56.27 -51.58 67.63 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.814 0.734 . . . . 0.0 110.01 175.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.0 t -61.5 -41.27 89.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 123.26 0.624 . . . . 0.0 109.783 178.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.17 -49.01 75.22 Favored 'General case' 0 C--N 1.342 0.264 0 CA-C-N 118.829 0.741 . . . . 0.0 110.969 178.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 95.8 mtp -72.47 -37.67 68.42 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 122.719 0.408 . . . . 0.0 110.507 -174.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -68.49 -29.37 67.96 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.347 0.521 . . . . 0.0 111.739 178.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.13 -45.21 58.13 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 118.921 0.782 . . . . 0.0 110.54 171.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -64.97 -44.45 89.33 Favored 'General case' 0 C--O 1.231 0.117 0 C-N-CA 123.788 0.835 . . . . 0.0 111.595 -174.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -16.18 50.36 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 175.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 tpt85 -110.48 7.25 22.61 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.191 1.396 . . . . 0.0 111.282 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt 48.63 33.06 3.86 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.318 1.847 . . . . 0.0 112.911 -178.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.0 mt -73.94 165.83 24.44 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 169.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -139.41 151.01 45.93 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.088 0.955 . . . . 0.0 109.051 176.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 141.64 -150.64 22.1 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -167.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.2 p90 -140.54 165.2 28.1 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 118.332 1.066 . . . . 0.0 112.671 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.1 p -131.38 141.01 47.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 N-CA-C 106.347 -1.723 . . . . 0.0 106.347 158.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -153.74 156.7 38.26 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 121.551 0.691 . . . . 0.0 112.722 -176.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -62.66 146.51 51.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 114.565 -1.198 . . . . 0.0 109.551 169.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 -115.36 139.57 49.88 Favored 'General case' 0 N--CA 1.461 0.1 0 N-CA-C 106.416 -1.698 . . . . 0.0 106.416 156.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -58.88 -26.12 63.98 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.233 1.013 . . . . 0.0 112.669 -173.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -53.51 -32.94 52.57 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.628 1.571 . . . . 0.0 113.182 171.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.45 -28.72 6.15 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 125.524 1.535 . . . . 0.0 111.16 -173.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 45.7 mtm180 -57.85 165.24 1.83 Allowed 'General case' 0 C--O 1.234 0.276 0 CA-C-O 122.453 1.12 . . . . 0.0 111.775 170.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 83.4 t -114.29 147.63 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 171.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -116.98 141.23 48.5 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 171.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.5 mt -128.8 144.93 36.57 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 N-CA-C 104.907 -2.257 . . . . 0.0 104.907 175.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.7 tt -143.92 128.27 17.86 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 105.115 -2.179 . . . . 0.0 105.115 174.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -142.74 152.76 42.66 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 118.501 0.591 . . . . 0.0 110.08 -178.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -125.26 155.05 40.74 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 125.752 1.621 . . . . 0.0 109.332 164.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 158.63 -168.58 34.89 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 123.951 0.786 . . . . 0.0 111.676 177.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -56.9 144.68 87.84 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 123.526 2.817 . . . . 0.0 111.5 172.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -62.48 -34.9 77.76 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.517 0.727 . . . . 0.0 111.211 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -67.15 -47.16 71.87 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.006 -1.058 . . . . 0.0 110.933 176.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.51 -46.01 90.08 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 123.688 0.795 . . . . 0.0 110.384 178.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 43.7 mt -62.27 -40.83 97.51 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 118.325 -0.845 . . . . 0.0 110.95 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -62.25 -48.33 80.41 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 119.974 1.261 . . . . 0.0 111.031 176.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.6 p -58.86 -33.48 70.51 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 118.711 0.687 . . . . 0.0 111.356 175.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -71.29 -33.9 70.14 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 117.423 -1.275 . . . . 0.0 111.177 178.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.5 t -62.21 -44.71 99.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-N 121.134 1.788 . . . . 0.0 108.973 168.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -60.8 -34.44 74.51 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.085 0.857 . . . . 0.0 111.36 -178.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.88 -54.16 21.05 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.101 0.56 . . . . 0.0 110.766 171.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.2 t -60.75 -42.94 94.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 124.494 1.118 . . . . 0.0 111.086 -173.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -66.43 -19.73 65.87 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 119.073 0.851 . . . . 0.0 112.655 -175.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -72.25 -22.12 61.28 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.945 0.793 . . . . 0.0 111.528 172.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.77 -169.66 41.51 Favored Glycine 0 CA--C 1.533 1.216 0 N-CA-C 109.069 -1.612 . . . . 0.0 109.069 -156.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 96.8 p -70.04 162.86 66.05 Favored Pre-proline 0 CA--C 1.539 0.532 0 O-C-N 121.34 -1.094 . . . . 0.0 108.107 157.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_exo -47.88 -26.57 7.4 Favored 'Trans proline' 0 CA--C 1.542 0.905 0 C-N-CA 123.415 2.744 . . . . 0.0 114.624 164.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -87.15 -23.95 24.66 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.704 0.802 . . . . 0.0 111.955 178.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.3 m -71.59 171.28 11.72 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.868 0.867 . . . . 0.0 111.777 -177.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -138.41 98.28 3.56 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 105.548 -2.019 . . . . 0.0 105.548 160.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 68.5 t -64.26 135.35 28.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 N-CA-C 106.745 -1.576 . . . . 0.0 106.745 168.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 56.6 p -115.8 -21.51 9.56 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.605 0.762 . . . . 0.0 110.678 175.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -157.29 156.31 32.21 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 124.621 1.168 . . . . 0.0 108.929 170.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.8 tt -146.78 146.67 18.51 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 C-N-CA 125.624 1.57 . . . . 0.0 107.924 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.5 m -136.76 145.32 44.45 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 125.69 1.596 . . . . 0.0 107.912 -176.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 49.9 t -138.06 142.91 34.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 C-N-CA 124.292 1.037 . . . . 0.0 108.414 -174.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.0 m -137.55 112.53 9.04 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 105.976 -1.861 . . . . 0.0 105.976 171.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -69.66 157.34 37.44 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 169.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 75.2 m -156.09 162.57 40.25 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.814 1.246 . . . . 0.0 109.545 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.4 mtt85 -140.29 42.16 1.91 Allowed 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.195 1.398 . . . . 0.0 108.475 -177.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.7 m -136.37 60.19 1.68 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 126.927 2.091 . . . . 0.0 106.428 -171.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.6 mp -55.57 153.15 8.12 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.688 1.595 . . . . 0.0 113.057 -161.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -73.71 -37.35 65.19 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.101 1.36 . . . . 0.0 110.175 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 65.86 24.93 71.71 Favored Glycine 0 CA--C 1.535 1.336 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 -162.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.92 134.72 57.3 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 -175.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -81.47 -16.23 52.6 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -172.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -153.84 174.64 14.31 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 125.924 1.69 . . . . 0.0 108.698 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -89.56 142.91 27.24 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 162.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.3 m -137.76 164.43 28.91 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 119.28 0.945 . . . . 0.0 112.001 -170.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.6 mt -112.86 140.32 33.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 N-CA-C 105.463 -2.051 . . . . 0.0 105.463 170.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.0 t -131.41 156.58 42.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 173.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -127.73 34.65 4.61 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.221 1.008 . . . . 0.0 110.156 -167.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.8 m . . . . . 0 C--O 1.249 1.047 0 C-N-CA 126.486 1.914 . . . . 0.0 111.211 178.88 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.5 mtt . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 121.002 0.429 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -136.38 176.27 8.85 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 125.6 1.56 . . . . 0.0 108.555 -177.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -148.65 147.9 29.48 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 -178.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -141.85 170.5 15.59 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 123.282 0.633 . . . . 0.0 110.531 169.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -130.41 138.69 50.47 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 105.593 -2.003 . . . . 0.0 105.593 167.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.8 mt -132.47 140.23 48.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 106.17 -1.789 . . . . 0.0 106.17 -175.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.1 mm -125.39 135.12 64.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 N-CA-C 105.467 -2.049 . . . . 0.0 105.467 -174.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.4 t -133.73 135.11 55.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 -170.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -110.33 149.5 30.12 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 106.821 -1.548 . . . . 0.0 106.821 166.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.13 -174.38 36.89 Favored Glycine 0 N--CA 1.446 -0.642 0 CA-C-O 121.349 0.416 . . . . 0.0 112.556 176.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.6 ttp-105 -71.77 99.66 2.2 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 105.214 -2.143 . . . . 0.0 105.214 152.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.8 m -138.69 -28.66 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -177.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.3 mp0 -75.43 -56.85 4.31 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 120.165 1.348 . . . . 0.0 111.585 -172.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.17 -31.58 72.06 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.737 -0.545 . . . . 0.0 111.737 -172.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.6 m -73.74 -5.95 7.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 C-N-CA 125.07 1.348 . . . . 0.0 112.428 174.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.12 35.28 49.74 Favored Glycine 0 C--N 1.341 0.835 0 CA-C-N 119.066 0.848 . . . . 0.0 112.678 171.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -53.58 -34.67 59.2 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 118.332 1.066 . . . . 0.0 112.235 -178.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.7 ptt-85 -51.46 -37.42 48.75 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.552 -0.717 . . . . 0.0 112.83 175.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -72.39 -40.63 67.07 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 118.922 0.783 . . . . 0.0 109.948 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -60.11 -48.93 79.65 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 118.416 0.553 . . . . 0.0 110.018 176.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.1 t -52.77 -52.81 24.7 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 C-N-CA 124.009 0.924 . . . . 0.0 109.198 175.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -59.71 -45.51 91.9 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 118.237 0.471 . . . . 0.0 111.374 -176.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.8 mtt -74.88 -34.65 62.24 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.788 -0.57 . . . . 0.0 110.766 -172.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -73.9 -24.63 59.72 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.544 -0.723 . . . . 0.0 111.4 174.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.48 -46.94 62.78 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 119.194 0.906 . . . . 0.0 109.618 169.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -63.33 -39.16 93.77 Favored 'General case' 0 N--CA 1.458 -0.051 0 C-N-CA 124.283 1.033 . . . . 0.0 111.654 -176.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -21.99 66.88 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 118.915 0.779 . . . . 0.0 112.081 176.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.5 mmm-85 -98.06 4.7 49.21 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.323 1.049 . . . . 0.0 112.072 172.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt 48.99 33.96 5.1 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.976 1.711 . . . . 0.0 112.551 -173.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.4 mt -69.76 165.35 21.6 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 169.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.62 149.09 51.53 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 124.645 1.178 . . . . 0.0 108.335 175.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 160.03 -163.68 33.9 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 120.712 -0.756 . . . . 0.0 114.686 -169.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 1.4 p90 -135.78 163.14 30.87 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 123.963 0.905 . . . . 0.0 111.335 173.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.6 p -137.14 141.84 39.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 165.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -154.12 153.02 31.11 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 123.194 0.598 . . . . 0.0 111.338 177.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -68.2 156.42 37.61 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 163.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 57.7 mtp85 -122.94 146.96 47.14 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 170.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -60.84 -27.96 68.47 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.02 0.928 . . . . 0.0 112.772 -172.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -65.45 -15.97 63.17 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.185 0.994 . . . . 0.0 112.876 177.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.77 -1.27 41.9 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 125.073 1.32 . . . . 0.0 112.175 -177.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -74.63 171.05 14.56 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 118.192 0.996 . . . . 0.0 109.772 170.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.2 t -118.88 148.93 21.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 104.939 -2.245 . . . . 0.0 104.939 159.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -123.61 141.58 51.87 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 125.072 1.349 . . . . 0.0 107.939 177.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.7 mt -128.09 143.13 41.86 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 N-CA-C 104.079 -2.563 . . . . 0.0 104.079 178.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.3 tt -140.95 128.65 21.55 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 105.001 -2.222 . . . . 0.0 105.001 173.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -141.97 153.57 44.4 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 118.613 0.642 . . . . 0.0 110.319 -174.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -130.82 142.5 50.39 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 126.884 2.074 . . . . 0.0 107.63 175.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 170.19 -173.43 44.2 Favored Glycine 0 CA--C 1.527 0.811 0 CA-C-O 119.685 -0.508 . . . . 0.0 112.05 176.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -68.88 152.22 73.71 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 C-N-CA 122.425 2.083 . . . . 0.0 109.934 171.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -60.48 -39.77 88.89 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.119 0.568 . . . . 0.0 111.727 -170.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -61.84 -44.14 97.44 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 119.116 0.871 . . . . 0.0 111.414 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.34 -43.63 90.27 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.2 mt -62.03 -47.02 86.59 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 118.794 -0.622 . . . . 0.0 110.754 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -63.05 -44.88 94.63 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.703 1.138 . . . . 0.0 110.83 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.6 m -59.2 -37.62 77.88 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.214 0.531 . . . . 0.0 110.352 175.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -70.89 -29.74 65.9 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-O 117.12 -1.419 . . . . 0.0 111.696 176.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.3 t -62.92 -44.22 99.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 CA-C-N 121.51 1.959 . . . . 0.0 108.703 167.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.44 -34.98 74.76 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.005 0.82 . . . . 0.0 111.148 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.21 -54.49 20.61 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.287 0.494 . . . . 0.0 111.548 170.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.1 t -60.5 -42.98 93.33 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 124.736 1.215 . . . . 0.0 111.225 -172.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -64.28 -19.84 65.68 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.775 0.716 . . . . 0.0 112.507 -174.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -70.28 -27.24 64.26 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.48 0.582 . . . . 0.0 111.892 174.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.44 -174.41 38.51 Favored Glycine 0 CA--C 1.536 1.392 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -154.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.0 m -63.56 157.95 62.23 Favored Pre-proline 0 CA--C 1.54 0.584 0 O-C-N 121.15 -1.206 . . . . 0.0 108.016 157.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_exo -47.17 -34.04 16.93 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 123.199 2.599 . . . . 0.0 113.947 165.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -80.44 -19.69 45.52 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.115 0.966 . . . . 0.0 113.161 178.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.4 m -71.29 172.81 8.68 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 123.853 0.861 . . . . 0.0 112.006 -177.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -139.37 95.56 2.95 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 162.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 97.7 t -62.52 135.44 26.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 170.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.0 p -115.95 -23.82 8.39 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.074 0.95 . . . . 0.0 110.822 177.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -159.09 150.91 20.74 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.624 1.17 . . . . 0.0 108.868 172.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.4 tt -143.85 144.09 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 C-N-CA 124.674 1.19 . . . . 0.0 108.804 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 44.2 m -142.14 159.81 41.49 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.167 1.787 . . . . 0.0 109.126 -177.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.7 t -139.12 147.88 24.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 124.196 0.998 . . . . 0.0 109.423 -169.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -127.69 145.08 51.01 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 127.373 2.269 . . . . 0.0 105.053 166.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -127.22 139.72 52.73 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.4 m -150.87 165.86 32.34 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.063 0.545 . . . . 0.0 110.613 -159.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 83.0 mtt85 -137.1 25.25 3.0 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.742 1.217 . . . . 0.0 109.284 168.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.7 m -85.95 58.0 4.8 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.581 1.952 . . . . 0.0 107.887 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 37.5 mt -51.65 140.72 18.05 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.344 1.458 . . . . 0.0 112.712 -159.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -72.31 -35.02 68.54 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.715 1.206 . . . . 0.0 109.5 172.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 61.14 15.95 46.29 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 124.222 0.915 . . . . 0.0 112.947 -173.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -77.7 169.62 17.99 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.731 1.212 . . . . 0.0 110.374 -178.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 31.7 p-80 -128.87 10.22 5.94 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.329 1.452 . . . . 0.0 111.522 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -147.71 170.78 16.82 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 125.615 1.566 . . . . 0.0 108.875 -174.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.01 145.06 48.5 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.1 m -129.68 153.43 48.15 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.428 0.691 . . . . 0.0 110.862 -168.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 9.8 mt -115.54 133.28 62.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 N-CA-C 105.142 -2.17 . . . . 0.0 105.142 172.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.7 t -132.47 143.88 38.52 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 -176.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -149.18 5.33 0.64 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.622 0.769 . . . . 0.0 113.003 -171.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 C--O 1.248 0.985 0 C-N-CA 125.764 1.625 . . . . 0.0 107.709 178.736 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.8 mmm . . . . . 0 N--CA 1.485 1.3 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 32.9 tp -145.95 172.44 13.37 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.388 1.475 . . . . 0.0 107.315 169.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -149.23 141.41 24.01 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 126.268 1.827 . . . . 0.0 107.315 -174.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -142.88 167.88 21.02 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 123.38 0.672 . . . . 0.0 111.093 171.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -126.51 140.16 52.67 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 105.771 -1.937 . . . . 0.0 105.771 166.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.7 mt -133.35 139.67 48.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 17.2 mm -112.89 143.55 22.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 105.248 -2.13 . . . . 0.0 105.248 174.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.5 t -138.07 137.48 44.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 -174.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -137.54 154.62 49.79 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 125.592 1.557 . . . . 0.0 109.402 -176.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.89 -157.01 23.16 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 125.552 1.549 . . . . 0.0 109.977 -175.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -72.62 84.72 1.16 Allowed 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 106.421 -1.696 . . . . 0.0 106.421 160.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.6 m -135.52 6.83 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 123.44 0.696 . . . . 0.0 111.635 -173.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -134.13 163.91 28.53 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 166.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.81 -50.7 3.92 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -167.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.4 m -60.03 150.21 6.45 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 156.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.25 37.21 2.19 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 124.341 0.972 . . . . 0.0 113.166 -173.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -59.67 -34.34 72.72 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.328 1.064 . . . . 0.0 112.348 -170.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 46.7 mtm-85 -53.09 -45.4 68.19 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.146 0.885 . . . . 0.0 111.189 173.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -70.87 -37.1 73.06 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 119.064 -0.493 . . . . 0.0 110.334 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -58.28 -53.39 58.78 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.88 0.763 . . . . 0.0 110.152 175.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.7 t -58.8 -40.23 79.27 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 123.169 0.587 . . . . 0.0 109.595 178.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -56.85 -49.68 74.72 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-N 118.435 0.562 . . . . 0.0 111.164 177.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.9 mtt -72.15 -37.21 69.45 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 122.453 0.301 . . . . 0.0 110.393 -173.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -70.74 -25.76 63.06 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.332 0.514 . . . . 0.0 111.802 177.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.05 -44.36 48.15 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 119.233 0.924 . . . . 0.0 110.259 170.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -65.54 -42.64 91.69 Favored 'General case' 0 C--O 1.231 0.109 0 C-N-CA 124.329 1.052 . . . . 0.0 111.554 -174.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -21.9 61.37 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.509 0.595 . . . . 0.0 111.99 175.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -108.47 7.3 26.83 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.83 1.252 . . . . 0.0 111.295 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt 44.91 36.7 2.0 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.417 1.887 . . . . 0.0 112.863 -176.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.7 mt -70.54 165.39 22.8 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 171.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.55 147.23 52.21 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 123.827 0.851 . . . . 0.0 109.267 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 139.98 -150.61 21.6 Favored Glycine 0 CA--C 1.531 1.091 0 N-CA-C 112.191 -0.363 . . . . 0.0 112.191 -169.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 13.1 p90 -149.81 167.14 27.39 Favored 'General case' 0 C--O 1.235 0.298 0 O-C-N 121.912 -0.758 . . . . 0.0 112.668 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.3 p -130.91 137.39 56.02 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 106.951 -1.5 . . . . 0.0 106.951 162.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -147.95 162.94 38.3 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 124.589 1.155 . . . . 0.0 110.996 -170.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -67.98 159.1 31.35 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 162.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.8 ttm-85 -120.42 141.26 50.3 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 106.249 -1.76 . . . . 0.0 106.249 164.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -56.28 -31.5 63.69 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.301 1.04 . . . . 0.0 113.446 -169.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -61.61 -23.72 66.21 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.087 0.955 . . . . 0.0 112.78 175.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.1 0.77 14.52 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 126.512 2.006 . . . . 0.0 112.795 177.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -85.01 175.96 8.72 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 118.899 1.349 . . . . 0.0 109.376 -178.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.8 t -101.04 147.56 7.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 165.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -133.44 136.53 45.25 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 106.39 -1.707 . . . . 0.0 106.39 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.1 mt -131.22 143.83 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 104.483 -2.414 . . . . 0.0 104.483 -173.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.8 tt -142.08 125.97 17.15 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 105.475 -2.046 . . . . 0.0 105.475 175.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -141.59 152.41 44.0 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.132 0.573 . . . . 0.0 109.552 -175.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -133.28 154.18 50.91 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 125.321 1.448 . . . . 0.0 108.97 169.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.95 -171.31 38.71 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-O 119.661 -0.522 . . . . 0.0 112.094 -178.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -55.58 146.66 63.26 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 123.835 3.023 . . . . 0.0 111.405 167.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.52 -32.91 74.56 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.751 -0.593 . . . . 0.0 112.349 -176.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -70.21 -43.46 70.61 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.359 0.982 . . . . 0.0 110.463 177.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.11 -45.89 91.45 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.265 0.626 . . . . 0.0 109.771 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.3 mt -64.0 -44.51 92.41 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 118.348 -0.834 . . . . 0.0 111.47 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -63.66 -42.72 98.05 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 120.267 1.394 . . . . 0.0 110.935 178.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.6 m -58.56 -38.9 78.81 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.046 0.451 . . . . 0.0 110.137 174.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -70.41 -29.85 66.57 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 117.52 -1.229 . . . . 0.0 111.582 177.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.0 t -62.44 -45.16 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-N 121.239 1.836 . . . . 0.0 108.593 168.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -60.36 -37.63 81.31 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.823 0.738 . . . . 0.0 110.928 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.07 -49.52 69.72 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.027 0.376 . . . . 0.0 111.341 173.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.1 t -65.32 -46.36 90.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 C-N-CA 124.283 1.033 . . . . 0.0 111.019 -174.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -64.52 -23.46 67.28 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 119.079 0.854 . . . . 0.0 111.999 -173.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -66.08 -28.66 68.99 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.39 0.541 . . . . 0.0 111.549 174.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.54 -177.23 37.44 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 -156.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 98.3 p -67.02 159.81 74.18 Favored Pre-proline 0 CA--C 1.537 0.46 0 C-N-CA 118.855 -1.138 . . . . 0.0 108.217 159.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_exo -47.11 -27.5 6.36 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 123.447 2.765 . . . . 0.0 114.545 163.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -82.55 -27.08 31.84 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.537 0.735 . . . . 0.0 111.884 176.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.6 m -71.61 171.04 12.16 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.863 0.865 . . . . 0.0 111.428 -178.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -142.32 88.32 2.08 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 105.941 -1.874 . . . . 0.0 105.941 166.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 70.7 t -62.58 135.94 26.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 174.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.8 p -110.59 -27.04 9.14 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.182 0.993 . . . . 0.0 110.457 173.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -159.27 149.0 18.75 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 123.952 0.901 . . . . 0.0 110.125 -178.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 10.1 pt -131.25 160.81 42.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 125.129 1.372 . . . . 0.0 109.342 170.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.3 m -141.67 157.83 44.58 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.499 1.52 . . . . 0.0 108.211 174.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 40.1 t -139.48 146.89 24.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 C-N-CA 123.636 0.774 . . . . 0.0 109.651 -170.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -131.21 148.43 52.7 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 127.144 2.178 . . . . 0.0 105.368 167.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -132.96 151.73 52.02 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 119.596 1.089 . . . . 0.0 108.234 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 55.0 m -160.68 168.88 23.96 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.3 1.04 . . . . 0.0 109.886 -175.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -140.66 63.79 1.45 Allowed 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 165.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.4 m -134.83 61.98 1.66 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 127.631 2.372 . . . . 0.0 105.298 -176.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -53.43 149.56 7.55 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 126.531 1.932 . . . . 0.0 113.202 -154.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -70.26 -29.8 66.68 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.466 1.106 . . . . 0.0 109.747 170.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 58.89 31.18 67.6 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.047 0.832 . . . . 0.0 112.093 -177.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -85.03 167.94 15.36 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.939 1.296 . . . . 0.0 109.811 -178.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -130.14 10.71 5.42 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.486 1.115 . . . . 0.0 111.441 -178.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -147.75 161.46 41.18 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 125.036 1.335 . . . . 0.0 108.985 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -100.65 156.23 17.43 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 166.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -138.64 158.62 43.89 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 122.883 0.473 . . . . 0.0 111.853 -168.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 40.5 mt -115.42 143.35 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 106.634 -1.617 . . . . 0.0 106.634 168.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -134.03 160.66 41.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 N-CA-C 106.874 -1.528 . . . . 0.0 106.874 167.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -130.18 10.94 5.42 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.714 -0.617 . . . . 0.0 112.519 -167.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.4 m . . . . . 0 C--O 1.248 1.003 0 C-N-CA 124.893 1.277 . . . . 0.0 108.341 -176.109 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.482 1.127 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 33.9 tp -149.02 -179.95 7.41 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.718 2.007 . . . . 0.0 107.232 176.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -145.83 148.79 33.27 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 126.526 1.93 . . . . 0.0 107.119 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -145.46 168.11 21.34 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 123.414 0.685 . . . . 0.0 111.295 169.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -129.31 139.14 51.86 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 105.732 -1.951 . . . . 0.0 105.732 165.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.2 mt -134.14 144.58 34.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 106.601 -1.629 . . . . 0.0 106.601 -173.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 14.8 mm -124.78 142.97 39.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 N-CA-C 105.633 -1.988 . . . . 0.0 105.633 177.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.0 t -136.62 139.72 44.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 -176.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -124.14 155.93 37.58 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 125.776 1.63 . . . . 0.0 108.682 177.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.17 -159.57 24.07 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 124.581 1.086 . . . . 0.0 110.979 173.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.3 ttp-105 -73.0 79.59 1.19 Allowed 'General case' 0 C--O 1.227 -0.12 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 159.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.9 m -129.3 4.54 2.62 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 C-N-CA 124.538 1.135 . . . . 0.0 110.064 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -139.64 156.68 46.7 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.844 2.058 . . . . 0.0 105.628 172.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.91 15.18 73.81 Favored Glycine 0 CA--C 1.539 1.534 0 N-CA-C 111.76 -0.536 . . . . 0.0 111.76 -160.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.1 m -142.55 160.13 19.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 128.154 2.581 . . . . 0.0 105.484 174.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.36 24.2 1.43 Allowed Glycine 0 CA--C 1.532 1.103 0 C-N-CA 123.903 0.764 . . . . 0.0 114.286 -172.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -60.51 -35.61 76.37 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.825 1.313 . . . . 0.0 112.433 -171.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.0 mtt85 -59.43 -39.59 84.02 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.529 1.059 . . . . 0.0 110.417 178.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -71.91 -37.17 70.12 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 119.023 -0.513 . . . . 0.0 110.7 176.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -56.61 -52.39 65.03 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 118.934 0.788 . . . . 0.0 109.755 175.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.03 -42.88 91.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 123.812 0.845 . . . . 0.0 109.864 177.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -56.07 -49.12 74.69 Favored 'General case' 0 C--N 1.34 0.19 0 CA-C-N 118.689 0.677 . . . . 0.0 110.892 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.4 mmm -75.85 -34.71 60.08 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 119.436 -0.316 . . . . 0.0 110.42 -173.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -67.26 -31.1 71.2 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.407 0.549 . . . . 0.0 111.49 175.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.7 -44.49 64.11 Favored 'General case' 0 CA--C 1.528 0.114 0 CA-C-N 119.14 0.882 . . . . 0.0 110.484 172.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -65.92 -43.07 89.17 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 123.559 0.744 . . . . 0.0 111.797 -175.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.67 -18.0 63.53 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.009 0.822 . . . . 0.0 112.207 175.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.2 tpt85 -105.27 3.68 30.24 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.938 1.295 . . . . 0.0 111.377 177.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm 41.66 42.21 1.98 Allowed 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 127.181 2.193 . . . . 0.0 112.811 -174.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 79.5 mt -73.44 165.25 25.41 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 166.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.24 146.54 51.13 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 124.155 0.982 . . . . 0.0 109.206 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 142.99 -154.24 25.24 Favored Glycine 0 CA--C 1.533 1.171 0 CA-C-N 118.044 0.384 . . . . 0.0 112.49 -170.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 7.7 p90 -140.96 164.54 29.99 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 118.047 0.924 . . . . 0.0 112.726 -178.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 p -132.04 143.77 39.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 159.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -156.36 161.07 40.18 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 123.011 0.524 . . . . 0.0 112.036 -174.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -64.68 146.87 54.09 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 158.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.2 ttt85 -124.23 133.18 53.59 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 171.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -60.39 -22.39 63.28 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.034 1.334 . . . . 0.0 113.568 -168.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -56.55 -24.69 48.76 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.394 1.078 . . . . 0.0 112.581 172.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.14 20.68 3.63 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 125.662 1.601 . . . . 0.0 111.805 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.1 mmp_? -123.3 175.26 6.81 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 118.256 1.028 . . . . 0.0 109.539 -162.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.8 t -99.72 146.0 9.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 105.13 -2.174 . . . . 0.0 105.13 159.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -122.96 139.81 53.68 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 106.268 -1.753 . . . . 0.0 106.268 171.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.1 mt -130.56 144.96 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 N-CA-C 104.743 -2.318 . . . . 0.0 104.743 178.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.9 tt -142.61 128.28 19.22 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 104.71 -2.33 . . . . 0.0 104.71 176.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -142.03 153.28 44.12 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.257 0.551 . . . . 0.0 109.847 -176.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -143.4 139.16 29.84 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 126.239 1.816 . . . . 0.0 106.753 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 159.82 -167.5 35.33 Favored Glycine 0 CA--C 1.526 0.74 0 CA-C-O 119.327 -0.707 . . . . 0.0 111.677 -177.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -52.78 136.74 59.62 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 123.206 2.604 . . . . 0.0 111.032 172.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -61.0 -33.56 73.44 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.787 -0.571 . . . . 0.0 111.763 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -65.36 -43.66 90.11 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.111 0.869 . . . . 0.0 111.265 175.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.9 -43.16 99.54 Favored 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 123.003 0.521 . . . . 0.0 109.814 176.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 54.2 mt -63.55 -46.0 87.95 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-O 118.423 -0.799 . . . . 0.0 110.942 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -60.5 -43.72 96.75 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 120.179 1.354 . . . . 0.0 110.64 177.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.2 m -58.06 -39.56 78.79 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.033 0.444 . . . . 0.0 110.499 174.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -69.9 -33.86 72.76 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 117.313 -1.327 . . . . 0.0 111.428 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.0 t -62.02 -45.07 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-N 121.283 1.856 . . . . 0.0 108.889 169.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.76 -34.64 74.76 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.879 0.763 . . . . 0.0 111.221 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.8 -52.94 31.19 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.236 0.471 . . . . 0.0 111.321 171.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 19.2 t -61.11 -42.97 95.3 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 C-N-CA 124.715 1.206 . . . . 0.0 111.044 -173.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -65.03 -18.65 65.48 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.986 0.812 . . . . 0.0 112.839 -175.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -67.72 -27.17 66.58 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.864 0.756 . . . . 0.0 111.597 172.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.6 -174.2 35.94 Favored Glycine 0 CA--C 1.533 1.173 0 N-CA-C 109.086 -1.606 . . . . 0.0 109.086 -153.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 95.9 p -68.05 162.58 58.46 Favored Pre-proline 0 CA--C 1.537 0.457 0 O-C-N 120.895 -1.356 . . . . 0.0 107.627 157.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -58.06 -17.13 29.97 Favored 'Trans proline' 0 CA--C 1.544 1.009 0 C-N-CA 122.162 1.908 . . . . 0.0 113.391 167.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -85.82 -23.46 27.16 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.26 0.936 . . . . 0.0 111.898 173.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.3 m -74.61 172.61 11.74 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.936 0.894 . . . . 0.0 112.015 -177.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -139.29 101.72 4.32 Favored 'General case' 0 C--O 1.231 0.094 0 N-CA-C 105.36 -2.089 . . . . 0.0 105.36 158.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 66.6 t -64.01 135.94 27.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 167.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 69.1 p -115.62 -22.74 9.07 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.37 0.668 . . . . 0.0 110.756 174.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -156.61 154.47 30.24 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 124.443 1.097 . . . . 0.0 109.034 172.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.4 tt -147.73 146.21 18.28 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 C-N-CA 125.585 1.554 . . . . 0.0 107.963 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.9 m -138.3 147.2 43.32 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 125.796 1.638 . . . . 0.0 108.197 -176.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.0 t -138.3 143.68 32.23 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 124.231 1.012 . . . . 0.0 108.443 -173.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.2 m -137.39 112.25 8.93 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 105.894 -1.891 . . . . 0.0 105.894 171.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -71.18 160.9 32.01 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 168.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 63.5 m -156.6 164.09 38.59 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 124.818 1.247 . . . . 0.0 109.309 176.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 50.5 ttm-85 -140.32 58.94 1.57 Allowed 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 174.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.5 m -134.68 55.53 1.89 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 127.06 2.144 . . . . 0.0 106.326 178.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.6 mp -52.17 147.53 7.47 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 126.775 2.03 . . . . 0.0 113.103 -156.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -64.71 -33.79 76.8 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.661 1.184 . . . . 0.0 112.104 -176.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.98 14.04 54.62 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 123.79 0.71 . . . . 0.0 112.709 -173.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -79.48 166.21 22.22 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.714 1.206 . . . . 0.0 109.784 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -135.56 19.59 3.33 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.347 1.059 . . . . 0.0 111.248 -178.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -151.95 162.22 41.42 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 124.776 1.231 . . . . 0.0 109.117 176.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -106.12 152.89 22.84 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 170.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.1 m -138.28 156.28 47.8 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.105 0.562 . . . . 0.0 111.686 -174.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.3 mt -104.24 136.29 38.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 104.516 -2.402 . . . . 0.0 104.516 162.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 39.9 t -132.58 153.74 38.66 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 -176.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -136.79 9.76 3.09 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.346 0.658 . . . . 0.0 112.486 -164.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.8 m . . . . . 0 C--O 1.248 0.996 0 C-N-CA 125.211 1.404 . . . . 0.0 108.127 -173.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.0 mtt . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.786 0.327 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -143.33 177.82 8.16 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.728 1.611 . . . . 0.0 108.364 -178.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -152.9 154.93 36.06 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.124 1.369 . . . . 0.0 107.593 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -148.2 166.29 28.35 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 121.774 -0.579 . . . . 0.0 110.448 165.147 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 34.9 ttm-85 -115.1 140.73 48.82 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 105.645 -1.983 . . . . 0.0 105.645 160.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.0 mt -132.13 139.89 49.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 106.553 -1.647 . . . . 0.0 106.553 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.4 mm -117.45 141.3 36.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 N-CA-C 105.145 -2.169 . . . . 0.0 105.145 173.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.6 t -136.23 138.8 46.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 -176.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -136.76 153.16 50.92 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 125.192 1.397 . . . . 0.0 109.317 -171.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.15 -154.49 21.22 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 -178.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.6 ttp-105 -74.25 82.39 1.85 Allowed 'General case' 0 N--CA 1.461 0.077 0 N-CA-C 106.234 -1.765 . . . . 0.0 106.234 162.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.5 m -130.65 9.55 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 C-N-CA 123.65 0.78 . . . . 0.0 111.175 -174.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -134.37 149.88 50.87 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 173.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.5 18.44 79.4 Favored Glycine 0 CA--C 1.534 1.267 0 CA-C-O 119.693 -0.504 . . . . 0.0 112.699 -169.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.9 m -136.82 21.94 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 125.796 1.638 . . . . 0.0 110.749 -174.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 69.2 10.92 63.22 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 124.379 0.99 . . . . 0.0 114.158 175.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -63.2 -36.54 83.99 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.959 1.38 . . . . 0.0 112.655 -166.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.5 mtm180 -58.79 -40.57 84.43 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.927 1.24 . . . . 0.0 110.824 176.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -69.18 -39.22 78.85 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 118.259 0.482 . . . . 0.0 110.302 177.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -57.48 -52.87 63.62 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.718 0.69 . . . . 0.0 109.896 175.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.6 t -58.79 -41.13 81.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 C-N-CA 123.553 0.741 . . . . 0.0 109.743 178.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -56.89 -49.95 73.98 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 118.723 0.692 . . . . 0.0 110.968 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 96.8 mtp -72.11 -37.11 69.58 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 122.626 0.37 . . . . 0.0 110.481 -173.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -71.61 -28.03 63.52 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 118.426 0.557 . . . . 0.0 111.73 177.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.43 -44.56 64.61 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 119.207 0.912 . . . . 0.0 110.042 171.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -64.79 -43.97 91.49 Favored 'General case' 0 C--O 1.231 0.088 0 C-N-CA 123.903 0.881 . . . . 0.0 111.471 -175.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -25.2 66.93 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 118.623 0.647 . . . . 0.0 111.646 176.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.0 tpt85 -99.8 6.72 45.38 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.44 1.096 . . . . 0.0 111.674 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt 48.6 34.18 4.78 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.533 1.933 . . . . 0.0 112.922 -178.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 80.4 mt -73.8 165.56 24.9 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 121.828 -0.545 . . . . 0.0 109.545 172.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.69 147.15 50.73 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 124.14 0.976 . . . . 0.0 108.751 175.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 145.03 -156.43 26.93 Favored Glycine 0 CA--C 1.529 0.941 0 CA-C-N 117.948 0.34 . . . . 0.0 112.389 -169.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 1.8 p90 -143.25 167.29 22.48 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 117.82 0.81 . . . . 0.0 112.802 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.5 p -135.7 141.41 42.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 159.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -152.82 170.76 19.52 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.789 1.236 . . . . 0.0 111.435 -178.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -64.81 157.43 27.71 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.452 0.701 . . . . 0.0 109.719 162.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.0 ttt85 -124.64 133.05 53.37 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 163.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -61.26 -25.33 67.01 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.548 1.139 . . . . 0.0 113.538 -164.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -61.46 -19.71 62.32 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.664 0.785 . . . . 0.0 112.546 175.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.64 28.79 1.68 Allowed Glycine 0 CA--C 1.529 0.925 0 C-N-CA 125.295 1.426 . . . . 0.0 112.324 173.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -124.94 -179.69 4.65 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 118.495 1.148 . . . . 0.0 109.503 -169.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.8 t -108.65 147.3 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 106.182 -1.784 . . . . 0.0 106.182 165.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -133.83 134.23 42.56 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.49 1.516 . . . . 0.0 107.055 -177.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 17.8 mt -130.9 146.48 33.91 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 N-CA-C 104.778 -2.305 . . . . 0.0 104.778 -172.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.1 tt -143.68 129.19 19.08 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 105.19 -2.152 . . . . 0.0 105.19 174.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -141.4 154.27 45.52 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.17 0.588 . . . . 0.0 109.894 -176.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -142.04 141.19 32.79 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 126.588 1.955 . . . . 0.0 107.103 178.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 161.95 -168.82 37.17 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-O 119.627 -0.541 . . . . 0.0 112.144 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -54.16 146.02 51.25 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 123.587 2.858 . . . . 0.0 111.86 171.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -59.77 -45.07 93.41 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.022 0.529 . . . . 0.0 110.575 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -62.86 -43.71 98.08 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.949 -0.469 . . . . 0.0 111.294 -178.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.98 -45.83 91.42 Favored 'General case' 0 C--N 1.34 0.157 0 C-N-CA 123.195 0.598 . . . . 0.0 110.401 175.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.2 mt -63.14 -40.53 97.84 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 118.32 -0.848 . . . . 0.0 110.982 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -63.51 -46.89 84.0 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 120.173 1.351 . . . . 0.0 110.903 177.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.8 m -57.6 -36.58 71.94 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.411 0.55 . . . . 0.0 110.915 174.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -70.51 -32.83 70.48 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 117.369 -1.3 . . . . 0.0 111.671 178.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.92 -45.23 99.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-N 121.257 1.844 . . . . 0.0 108.763 169.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.85 -34.44 74.59 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.673 0.67 . . . . 0.0 111.434 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.7 -53.19 29.62 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 122.908 0.483 . . . . 0.0 110.955 171.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.1 t -61.22 -43.66 96.88 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 C-N-CA 124.457 1.103 . . . . 0.0 110.939 -173.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -64.39 -18.54 64.79 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 119.032 0.833 . . . . 0.0 112.926 -176.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -69.32 -23.49 63.8 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.071 0.85 . . . . 0.0 111.835 174.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.57 -170.04 43.42 Favored Glycine 0 CA--C 1.534 1.231 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 -157.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 97.7 p -69.75 162.51 67.27 Favored Pre-proline 0 CA--C 1.539 0.544 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 157.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_exo -48.25 -25.54 7.14 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 123.493 2.795 . . . . 0.0 114.569 164.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -90.84 -18.86 24.13 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.066 0.946 . . . . 0.0 112.148 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.0 m -73.5 170.83 14.32 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.894 0.878 . . . . 0.0 112.007 -179.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -137.73 97.94 3.55 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 105.383 -2.08 . . . . 0.0 105.383 159.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.8 t -63.79 135.47 27.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 168.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.4 p -119.24 -18.78 8.55 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.845 0.858 . . . . 0.0 110.673 174.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -155.66 153.48 30.08 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 124.156 0.982 . . . . 0.0 109.456 171.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.2 tt -147.46 147.25 17.61 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 C-N-CA 125.809 1.644 . . . . 0.0 107.763 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.3 m -138.75 146.31 41.28 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 125.682 1.593 . . . . 0.0 108.037 -175.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 49.0 t -136.56 142.4 38.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 -173.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.6 m -136.63 92.78 2.79 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 177.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -63.61 139.67 58.79 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 173.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.7 m -145.41 165.97 26.98 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.683 1.593 . . . . 0.0 108.926 -170.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -144.81 22.29 1.6 Allowed 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.259 -0.901 . . . . 0.0 112.684 174.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.4 m -87.76 62.89 7.21 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 106.89 -1.522 . . . . 0.0 106.89 173.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.8 mt -52.09 144.45 12.16 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.305 1.442 . . . . 0.0 112.837 -158.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -63.22 -36.63 84.28 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.451 1.1 . . . . 0.0 112.033 -173.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.03 11.73 39.8 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 123.925 0.774 . . . . 0.0 112.984 -173.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -76.59 167.17 22.3 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.843 1.257 . . . . 0.0 109.532 178.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -128.21 10.28 6.3 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.185 0.994 . . . . 0.0 111.55 -178.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -147.2 166.32 27.37 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 124.698 1.199 . . . . 0.0 109.416 174.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -100.0 153.57 19.09 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 165.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.9 m -138.98 148.69 43.82 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.077 0.853 . . . . 0.0 112.623 -173.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 42.2 mt -90.84 130.69 39.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 N-CA-C 104.571 -2.381 . . . . 0.0 104.571 164.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 97.8 t -132.2 156.12 42.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 -174.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -151.84 4.87 0.42 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.26 1.424 . . . . 0.0 111.977 -176.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 C--O 1.249 1.057 0 C-N-CA 125.491 1.516 . . . . 0.0 110.919 -179.142 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.486 1.329 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 56.2 mt -135.35 172.06 13.55 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 125.347 1.459 . . . . 0.0 108.379 177.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -134.95 148.39 50.02 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 126.324 1.85 . . . . 0.0 107.094 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -142.63 167.68 21.52 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.486 0.66 . . . . 0.0 111.112 162.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 25.2 ttt180 -126.03 134.63 51.37 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 104.963 -2.236 . . . . 0.0 104.963 166.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.1 mt -131.6 139.5 50.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 -173.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.9 mm -121.32 142.1 38.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 105.716 -1.957 . . . . 0.0 105.716 177.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.1 t -137.54 146.11 28.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -170.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -140.22 150.83 44.61 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 125.866 1.666 . . . . 0.0 108.993 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 139.17 -156.12 24.29 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.701 -0.959 . . . . 0.0 110.701 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -72.94 87.47 1.33 Allowed 'General case' 0 N--CA 1.462 0.142 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 164.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.7 m -129.32 15.75 2.58 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 124.767 1.227 . . . . 0.0 110.718 178.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.6 mp0 -137.81 161.86 35.47 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 126.389 1.876 . . . . 0.0 107.075 164.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.7 13.25 71.53 Favored Glycine 0 CA--C 1.537 1.407 0 N-CA-C 111.698 -0.561 . . . . 0.0 111.698 -165.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.4 m -146.83 154.35 12.09 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 128.055 2.542 . . . . 0.0 105.815 -178.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.37 36.12 2.21 Favored Glycine 0 CA--C 1.528 0.879 0 C-N-CA 123.83 0.729 . . . . 0.0 113.407 -171.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -63.19 -34.31 77.36 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.946 1.373 . . . . 0.0 112.41 -168.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.424 ' NH2' ' H ' ' A' ' 36' ' ' ASN . 56.3 mtt-85 -54.53 -48.69 71.67 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.106 0.866 . . . . 0.0 110.368 173.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -67.76 -41.34 83.49 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.347 0.659 . . . . 0.0 110.371 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -56.59 -54.13 49.55 Favored 'General case' 0 C--N 1.341 0.213 0 C-N-CA 123.024 0.53 . . . . 0.0 109.895 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.9 t -60.94 -41.45 88.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 123.5 0.72 . . . . 0.0 109.811 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -56.16 -50.12 72.04 Favored 'General case' 0 C--N 1.342 0.262 0 CA-C-N 118.754 0.706 . . . . 0.0 110.789 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.2 mmt -78.17 -32.81 50.35 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 119.2 -0.428 . . . . 0.0 110.778 -172.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -67.18 -31.98 72.76 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.696 0.68 . . . . 0.0 111.315 174.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.12 -45.8 62.91 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 119.026 0.83 . . . . 0.0 110.506 172.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -64.43 -44.23 91.82 Favored 'General case' 0 C--O 1.23 0.07 0 C-N-CA 123.613 0.765 . . . . 0.0 111.517 -174.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -18.29 64.83 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.727 -0.608 . . . . 0.0 112.211 177.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -104.37 10.82 35.24 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.649 1.18 . . . . 0.0 111.186 176.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.4 mttm 49.56 33.93 6.4 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.927 2.091 . . . . 0.0 113.195 178.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.6 mt -75.38 165.56 24.95 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 171.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -134.15 150.42 51.11 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.553 1.141 . . . . 0.0 108.434 172.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 144.24 -150.98 23.06 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -167.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -146.38 166.98 24.72 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 118.436 1.118 . . . . 0.0 113.275 179.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.2 p -131.99 140.76 47.2 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 C-N-CA 124.372 1.069 . . . . 0.0 108.146 160.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 44.4 pttt -152.93 150.51 29.34 Favored 'General case' 0 CA--C 1.523 -0.07 0 C-N-CA 124.191 0.996 . . . . 0.0 109.319 175.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.424 ' H ' ' NH2' ' A' ' 18' ' ' ARG . 2.9 p-10 -70.71 149.03 47.36 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 161.234 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -88.51 149.42 23.64 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 164.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -61.55 -29.63 70.13 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 122.932 0.493 . . . . 0.0 111.392 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -31.93 66.64 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.355 1.462 . . . . 0.0 112.914 173.238 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.04 -20.57 9.14 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-N 118.961 0.8 . . . . 0.0 113.24 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.83 171.08 2.28 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 119.428 1.614 . . . . 0.0 109.43 165.318 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.5 t -119.67 148.64 22.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 106.498 -1.667 . . . . 0.0 106.498 173.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -124.71 138.95 54.26 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 125.473 1.509 . . . . 0.0 107.511 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.5 mt -130.88 141.77 45.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 N-CA-C 104.421 -2.437 . . . . 0.0 104.421 176.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.0 tt -142.67 126.94 17.59 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 105.119 -2.178 . . . . 0.0 105.119 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -143.7 152.15 40.95 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 118.656 0.662 . . . . 0.0 110.412 -173.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -142.71 144.43 32.69 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 125.993 1.717 . . . . 0.0 108.193 177.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 158.47 -164.88 33.72 Favored Glycine 0 CA--C 1.533 1.187 0 CA-C-O 119.657 -0.524 . . . . 0.0 112.444 -175.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -56.21 137.84 81.13 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 124.164 3.243 . . . . 0.0 111.939 173.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -59.82 -32.2 70.43 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.243 -0.911 . . . . 0.0 112.644 -175.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -73.39 -27.46 61.48 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.35 -0.844 . . . . 0.0 111.498 176.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.83 -40.46 61.04 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 178.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.9 mp -58.48 -48.98 78.99 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 118.89 -0.576 . . . . 0.0 110.569 172.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -61.49 -46.48 89.84 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.285 0.948 . . . . 0.0 111.193 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.7 m -55.79 -40.44 72.68 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 121.32 0.581 . . . . 0.0 110.535 175.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -72.64 -30.06 63.99 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-O 117.0 -1.476 . . . . 0.0 111.543 -178.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.7 t -64.18 -44.28 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 121.652 2.023 . . . . 0.0 108.583 168.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -59.99 -34.0 72.72 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.246 0.93 . . . . 0.0 111.171 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.34 -56.0 10.07 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 122.866 0.466 . . . . 0.0 111.375 170.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.1 t -60.55 -42.3 90.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 124.755 1.222 . . . . 0.0 111.16 -172.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -64.54 -21.73 66.77 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.759 0.709 . . . . 0.0 112.364 -175.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -71.47 -28.84 64.22 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.602 0.637 . . . . 0.0 111.366 173.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.9 -176.94 35.71 Favored Glycine 0 CA--C 1.534 1.23 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 -155.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.82 157.17 61.56 Favored Pre-proline 0 CA--C 1.541 0.631 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 158.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -46.21 -34.9 14.4 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 123.436 2.757 . . . . 0.0 114.461 168.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -79.17 -26.92 42.66 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.752 0.821 . . . . 0.0 112.761 176.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.0 m -71.23 173.18 8.05 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.599 1.159 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -145.56 99.07 3.23 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 106.088 -1.819 . . . . 0.0 106.088 167.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 67.8 t -65.22 135.14 28.77 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 167.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.1 p -120.01 -18.88 8.04 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.812 0.845 . . . . 0.0 110.774 175.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -153.8 149.52 27.5 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 124.503 1.121 . . . . 0.0 109.059 170.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.1 tt -147.36 145.21 19.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 125.504 1.522 . . . . 0.0 107.733 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 67.4 m -136.7 149.93 48.17 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 126.188 1.795 . . . . 0.0 108.229 -178.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.9 t -140.77 145.02 26.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 124.186 0.994 . . . . 0.0 108.679 -171.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.1 m -134.55 119.77 18.84 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 105.584 -2.006 . . . . 0.0 105.584 165.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -103.11 154.64 19.08 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 123.885 0.874 . . . . 0.0 109.362 177.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.1 m -164.73 175.19 9.92 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.334 1.454 . . . . 0.0 109.918 -171.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -122.33 23.9 9.57 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.469 1.108 . . . . 0.0 109.761 170.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.7 m -82.47 70.0 9.34 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 125.721 1.608 . . . . 0.0 107.027 175.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 23.2 mt -63.45 138.01 58.36 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.23 -165.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -74.01 -39.0 63.9 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 122.993 0.517 . . . . 0.0 111.63 -172.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 62.17 27.71 69.51 Favored Glycine 0 CA--C 1.536 1.363 0 N-CA-C 111.729 -0.548 . . . . 0.0 111.729 -167.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -65.78 146.31 54.93 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 117.881 0.84 . . . . 0.0 109.535 -176.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -70.79 -29.11 65.2 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -172.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -158.48 177.71 10.94 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 126.157 1.783 . . . . 0.0 108.328 -175.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -86.37 141.08 29.45 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 160.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.3 m -134.24 152.74 51.98 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 119.616 1.098 . . . . 0.0 112.431 -170.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 26.0 mt -94.59 125.36 47.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 104.403 -2.443 . . . . 0.0 104.403 167.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 73.5 t -130.25 157.24 42.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 123.915 0.886 . . . . 0.0 108.752 -169.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -137.91 -3.16 1.84 Allowed 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.927 1.291 . . . . 0.0 111.849 -178.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.1 m . . . . . 0 C--O 1.249 1.044 0 C-N-CA 125.298 1.439 . . . . 0.0 110.551 -178.506 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 mmt . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.83 0.348 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -142.08 175.16 9.96 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 125.737 1.615 . . . . 0.0 108.083 177.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -152.75 149.98 28.93 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 123.335 0.654 . . . . 0.0 109.385 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -144.59 169.83 17.22 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 123.438 0.695 . . . . 0.0 111.181 169.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -128.33 137.41 51.92 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 105.769 -1.938 . . . . 0.0 105.769 168.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.7 mt -134.22 136.68 52.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 -177.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.6 mp -117.55 140.12 41.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 N-CA-C 104.961 -2.237 . . . . 0.0 104.961 176.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.7 t -136.85 139.38 44.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 N-CA-C 107.316 -1.365 . . . . 0.0 107.316 -170.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -141.27 152.93 44.92 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 125.108 1.363 . . . . 0.0 109.442 -176.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.95 -156.81 22.71 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 109.419 -1.472 . . . . 0.0 109.419 -174.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -72.07 82.56 0.97 Allowed 'General case' 0 C--O 1.227 -0.129 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 164.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.5 m -132.48 -14.73 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 124.774 1.23 . . . . 0.0 111.014 173.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -98.53 -28.05 13.76 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 121.182 -0.949 . . . . 0.0 111.274 -178.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.48 11.29 61.69 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 124.144 0.878 . . . . 0.0 112.457 176.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.0 m -141.92 163.72 19.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 C-N-CA 127.213 2.205 . . . . 0.0 106.808 -177.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.51 35.55 2.02 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 124.121 0.867 . . . . 0.0 113.617 -173.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -56.1 -37.14 68.97 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 118.941 1.371 . . . . 0.0 112.257 -171.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.4 mtm-85 -58.86 -35.41 72.92 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.213 -0.929 . . . . 0.0 111.396 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -72.5 -39.71 67.42 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.539 0.609 . . . . 0.0 110.626 175.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -57.0 -50.06 73.88 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.843 0.747 . . . . 0.0 109.711 175.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.2 t -58.48 -43.0 85.9 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 123.894 0.878 . . . . 0.0 109.848 177.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.38 -51.18 69.29 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-N 119.444 1.02 . . . . 0.0 110.611 178.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 77.1 mtm -70.67 -37.85 73.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 119.516 -0.278 . . . . 0.0 110.589 -173.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -68.3 -33.0 73.54 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.328 0.513 . . . . 0.0 111.573 178.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.38 -44.17 68.58 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 118.75 0.705 . . . . 0.0 110.561 173.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -65.39 -45.01 85.71 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 123.838 0.855 . . . . 0.0 111.357 -175.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -15.84 62.8 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 121.729 -0.607 . . . . 0.0 112.452 176.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -107.18 12.0 28.82 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.776 1.23 . . . . 0.0 111.155 175.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt 49.66 34.74 7.61 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.937 2.095 . . . . 0.0 113.367 177.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.1 mt -75.46 168.15 20.55 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 121.909 -0.494 . . . . 0.0 109.726 172.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -137.67 151.88 48.72 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 124.414 1.085 . . . . 0.0 109.145 173.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 140.88 -149.01 20.67 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -173.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 3.7 p90 -137.28 163.08 31.8 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -178.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.1 p -131.75 139.46 50.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 N-CA-C 106.333 -1.728 . . . . 0.0 106.333 159.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -153.29 162.08 41.68 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 122.951 0.5 . . . . 0.0 112.064 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -64.93 130.05 41.97 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 159.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.2 ttt85 -88.81 154.95 19.85 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 174.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -58.36 -32.76 68.86 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.287 0.635 . . . . 0.0 112.689 -175.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -68.27 -17.82 64.38 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.945 0.898 . . . . 0.0 112.862 177.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.81 3.56 52.22 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.238 1.399 . . . . 0.0 112.931 -178.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -81.04 175.19 10.89 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 118.99 1.395 . . . . 0.0 109.098 171.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.2 t -96.3 145.6 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 106.391 -1.707 . . . . 0.0 106.391 166.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -128.18 141.82 51.36 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 125.857 1.663 . . . . 0.0 107.223 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 27.8 mt -131.66 140.75 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 N-CA-C 104.32 -2.474 . . . . 0.0 104.32 -177.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.8 tt -144.18 119.96 10.54 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 105.523 -2.029 . . . . 0.0 105.523 174.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -141.05 141.97 34.23 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 121.284 0.564 . . . . 0.0 111.021 -173.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -110.68 144.4 39.67 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 128.191 2.596 . . . . 0.0 107.359 174.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 169.85 -174.43 44.05 Favored Glycine 0 CA--C 1.527 0.812 0 CA-C-O 119.615 -0.547 . . . . 0.0 112.461 172.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -69.89 153.88 67.84 Favored 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 122.282 1.988 . . . . 0.0 110.108 172.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -57.65 -46.94 83.55 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.548 0.739 . . . . 0.0 111.62 -168.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -74.0 -29.19 61.83 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 119.18 0.9 . . . . 0.0 112.42 -174.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.89 -45.23 90.28 Favored 'General case' 0 CA--C 1.527 0.091 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 171.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 51.7 mt -62.65 -42.79 99.8 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 118.421 -0.8 . . . . 0.0 110.832 177.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -57.89 -49.76 75.63 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 119.885 1.22 . . . . 0.0 110.411 175.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.2 m -56.51 -40.2 74.6 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.064 0.546 . . . . 0.0 110.105 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -70.6 -32.43 69.8 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-O 117.17 -1.395 . . . . 0.0 111.507 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.69 -45.07 99.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-N 121.597 1.998 . . . . 0.0 109.02 169.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -59.36 -38.3 80.08 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.924 0.784 . . . . 0.0 110.565 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.54 -50.97 61.4 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.054 0.542 . . . . 0.0 111.335 173.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.7 t -64.16 -44.06 97.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 124.176 0.99 . . . . 0.0 110.823 -173.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.1 pttt -65.41 -24.34 67.18 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 119.118 0.872 . . . . 0.0 112.307 -175.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -67.79 -27.55 66.84 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.338 0.517 . . . . 0.0 111.389 173.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.37 -175.65 36.07 Favored Glycine 0 CA--C 1.534 1.233 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 -155.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 91.1 p -66.14 161.59 54.9 Favored Pre-proline 0 CA--C 1.539 0.528 0 O-C-N 121.054 -1.262 . . . . 0.0 108.355 161.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_exo -46.95 -27.16 5.55 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 123.458 2.772 . . . . 0.0 114.62 163.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -85.29 -24.25 27.79 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.64 0.776 . . . . 0.0 111.937 177.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.9 m -73.32 171.66 12.64 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.832 0.853 . . . . 0.0 112.257 -176.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -141.79 98.47 3.35 Favored 'General case' 0 C--N 1.334 -0.073 0 N-CA-C 105.704 -1.961 . . . . 0.0 105.704 159.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.4 t -64.71 135.68 27.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 107.1 -1.444 . . . . 0.0 107.1 169.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.5 p -120.28 -17.81 8.15 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.883 0.873 . . . . 0.0 110.926 174.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -153.26 146.93 25.11 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.317 1.047 . . . . 0.0 109.14 171.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.0 tt -147.41 142.55 19.94 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 125.463 1.505 . . . . 0.0 107.519 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.2 m -138.71 154.62 48.59 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 125.498 1.519 . . . . 0.0 108.819 -178.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 50.8 t -137.0 146.14 28.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 C-N-CA 124.265 1.026 . . . . 0.0 109.099 -169.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -134.34 153.1 52.07 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 127.602 2.361 . . . . 0.0 105.568 171.231 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -127.2 152.45 47.35 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.662 1.119 . . . . 0.0 108.882 -177.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.1 p -148.26 165.65 30.35 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.967 0.907 . . . . 0.0 110.189 -177.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 49.0 mtm105 -136.37 47.4 2.2 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 105.953 -1.869 . . . . 0.0 105.953 176.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.7 m -134.66 36.96 3.11 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.401 -152.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.6 mp -24.17 109.88 0.03 OUTLIER 'General case' 0 C--O 1.235 0.327 0 C-N-CA 129.977 3.311 . . . . 0.0 112.79 -170.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -56.8 -33.31 66.56 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.505 1.122 . . . . 0.0 111.331 176.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 61.24 28.06 68.56 Favored Glycine 0 CA--C 1.532 1.129 0 C-N-CA 124.174 0.892 . . . . 0.0 111.95 -174.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -65.96 150.72 48.19 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.535 0.734 . . . . 0.0 110.254 -174.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -67.84 -30.22 69.55 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.37 0.508 . . . . 0.0 112.37 -174.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -159.34 -175.24 5.1 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 126.108 1.763 . . . . 0.0 107.906 -177.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -93.43 129.47 39.59 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 117.371 -1.3 . . . . 0.0 107.563 164.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 27.1 m -132.57 143.85 49.99 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 120.113 1.324 . . . . 0.0 113.043 -170.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 8.9 mt -80.3 137.08 22.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 N-CA-C 105.577 -2.009 . . . . 0.0 105.577 168.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 47.5 t -133.55 143.53 38.62 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 -178.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -148.64 6.49 0.73 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.389 1.076 . . . . 0.0 111.967 -177.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.5 m . . . . . 0 C--O 1.251 1.18 0 C-N-CA 125.582 1.553 . . . . 0.0 110.899 -179.676 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 mmt . . . . . 0 N--CA 1.485 1.321 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 59.8 mt -137.18 177.06 8.16 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 125.232 1.413 . . . . 0.0 108.374 175.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -139.33 153.03 47.65 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 125.479 1.511 . . . . 0.0 108.05 175.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -141.18 166.29 25.19 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 122.796 0.438 . . . . 0.0 110.61 161.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.5 ttm-85 -121.75 139.34 53.71 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 105.73 -1.952 . . . . 0.0 105.73 163.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.3 mt -132.98 136.81 54.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 105.963 -1.866 . . . . 0.0 105.963 -177.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.1 mm -110.66 141.24 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 174.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.8 t -136.54 137.24 47.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 -175.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -139.18 152.23 47.22 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 125.141 1.376 . . . . 0.0 108.68 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 138.91 -156.39 24.29 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 -174.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -74.2 77.26 1.79 Allowed 'General case' 0 C--O 1.232 0.157 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 167.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.7 m -134.82 -0.31 1.14 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 124.468 1.107 . . . . 0.0 111.387 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -124.58 -23.93 4.3 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.991 0.916 . . . . 0.0 111.849 -174.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.17 5.38 77.0 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 123.593 0.616 . . . . 0.0 111.972 166.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.9 m -142.91 161.91 17.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 C-N-CA 127.023 2.129 . . . . 0.0 107.424 -176.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.47 41.46 2.68 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 124.63 1.11 . . . . 0.0 113.627 -171.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -52.65 -37.81 59.22 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 118.872 1.336 . . . . 0.0 112.19 -174.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.4 mtm-85 -53.83 -37.16 63.3 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.519 0.728 . . . . 0.0 111.805 177.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -69.49 -43.2 73.65 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 119.255 0.934 . . . . 0.0 110.709 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -59.87 -46.26 89.88 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-N 118.716 0.689 . . . . 0.0 110.103 177.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.4 t -59.29 -43.74 90.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 123.063 0.545 . . . . 0.0 109.938 175.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -56.14 -47.71 77.65 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 118.717 0.69 . . . . 0.0 110.689 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 36.7 mmt -74.05 -36.24 64.35 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 122.456 0.302 . . . . 0.0 110.626 -173.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -68.96 -30.43 68.87 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.463 0.574 . . . . 0.0 111.656 176.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.42 -43.76 63.39 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 118.975 0.807 . . . . 0.0 110.369 172.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -64.73 -40.93 96.16 Favored 'General case' 0 C--O 1.229 0.021 0 C-N-CA 123.821 0.848 . . . . 0.0 111.565 -176.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -15.82 63.94 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.171 0.896 . . . . 0.0 112.547 176.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.7 mmm-85 -100.8 0.14 38.16 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.02 0.928 . . . . 0.0 111.917 170.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt 42.3 43.43 2.96 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.279 1.832 . . . . 0.0 112.136 -169.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.58 166.83 14.15 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 164.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -132.51 152.22 51.64 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 123.957 0.903 . . . . 0.0 108.922 175.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 137.88 -153.49 22.23 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.652 -0.579 . . . . 0.0 111.652 -169.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.0 p90 -138.47 163.75 31.14 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 117.945 0.872 . . . . 0.0 112.446 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.3 p -128.1 143.24 41.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 154.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -153.19 161.6 42.25 Favored 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 123.094 0.558 . . . . 0.0 111.97 -176.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -65.9 127.96 34.12 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 156.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 44.9 ttt85 -88.93 155.1 19.72 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 172.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -58.11 -32.49 68.17 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.659 0.784 . . . . 0.0 112.934 -174.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -67.24 -17.86 64.98 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.951 0.901 . . . . 0.0 112.869 176.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.87 1.63 56.18 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 125.104 1.335 . . . . 0.0 112.521 -177.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -78.71 175.32 10.54 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 119.248 1.524 . . . . 0.0 108.953 170.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.0 t -95.62 144.76 9.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 105.619 -1.993 . . . . 0.0 105.619 166.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -123.11 137.7 54.85 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 106.944 -1.502 . . . . 0.0 106.944 172.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.6 mt -119.92 142.07 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.675 0 N-CA-C 104.213 -2.514 . . . . 0.0 104.213 173.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.7 tt -142.95 121.92 12.8 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 104.97 -2.233 . . . . 0.0 104.97 173.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -138.76 148.38 43.79 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.039 0.535 . . . . 0.0 109.805 -175.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -124.39 153.25 42.16 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 125.525 1.53 . . . . 0.0 108.78 169.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.67 -170.21 36.55 Favored Glycine 0 CA--C 1.528 0.903 0 CA-C-O 119.758 -0.468 . . . . 0.0 112.543 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -56.48 149.32 57.77 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 124.022 3.148 . . . . 0.0 111.639 170.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -59.71 -44.57 93.64 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.1 0.56 . . . . 0.0 110.869 -179.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -62.64 -42.8 99.8 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 118.507 0.594 . . . . 0.0 111.275 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.32 -45.34 88.32 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 122.685 0.394 . . . . 0.0 110.084 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.0 mt -62.81 -47.12 84.82 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.378 0.671 . . . . 0.0 110.571 178.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -61.22 -45.32 95.06 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.287 0.949 . . . . 0.0 110.552 179.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.6 m -59.7 -36.66 76.96 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.585 0.354 . . . . 0.0 110.723 176.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -71.58 -32.15 67.75 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 117.807 -1.092 . . . . 0.0 111.411 178.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.2 t -62.46 -44.67 99.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-N 120.944 1.702 . . . . 0.0 109.153 168.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -61.0 -35.06 75.85 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 118.53 0.604 . . . . 0.0 111.193 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.49 -53.98 34.84 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.994 0.518 . . . . 0.0 110.709 171.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 38.3 t -60.52 -42.93 93.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 124.146 0.979 . . . . 0.0 111.03 -174.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -67.03 -14.47 62.93 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.188 0.903 . . . . 0.0 112.852 -177.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -64.15 -27.83 69.35 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 119.469 1.031 . . . . 0.0 111.178 170.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.83 -128.65 8.97 Favored Glycine 0 C--N 1.336 0.537 0 N-CA-C 105.461 -3.055 . . . . 0.0 105.461 -151.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 68.0 m -154.32 169.23 10.4 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 172.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_exo -47.49 -22.69 2.92 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 123.591 2.861 . . . . 0.0 115.071 170.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -134.74 32.91 3.24 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.187 1.395 . . . . 0.0 111.105 176.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.7 m -151.34 150.84 30.96 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 120.321 -1.487 . . . . 0.0 110.151 172.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -133.97 103.23 5.73 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 -177.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.5 p -61.63 138.12 22.68 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 161.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.8 p -123.77 -13.73 7.37 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.24 1.016 . . . . 0.0 110.798 170.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -151.45 144.15 24.36 Favored 'General case' 0 C--N 1.342 0.241 0 C-N-CA 124.605 1.162 . . . . 0.0 109.271 171.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 19.2 tt -143.57 146.33 21.3 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 125.2 1.4 . . . . 0.0 108.32 -176.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.9 m -139.11 151.65 46.86 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 125.516 1.526 . . . . 0.0 108.33 177.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 50.3 t -140.82 145.47 25.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 124.267 1.027 . . . . 0.0 109.059 -172.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.3 m -134.96 129.74 34.7 Favored 'General case' 0 CA--C 1.528 0.127 0 N-CA-C 105.805 -1.924 . . . . 0.0 105.805 160.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.09 149.09 26.14 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 172.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.78 137.35 25.04 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 -163.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.5 51.2 2.05 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 174.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.8 m -143.43 82.7 1.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 125.023 1.329 . . . . 0.0 108.092 -158.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.0 mp -62.78 145.86 53.89 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.21 0.604 . . . . 0.0 109.885 -179.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -84.81 -24.89 28.47 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.703 1.201 . . . . 0.0 110.831 171.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 64.54 29.31 74.8 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 123.911 0.767 . . . . 0.0 112.629 -177.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.77 168.85 17.94 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.011 0.905 . . . . 0.0 109.696 171.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 58.9 m80 -125.99 0.55 7.26 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.172 0.989 . . . . 0.0 112.211 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -150.08 168.94 22.45 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 125.481 1.512 . . . . 0.0 108.435 172.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -91.78 148.29 22.35 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 162.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.1 m -137.95 159.2 42.64 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 118.993 0.815 . . . . 0.0 111.79 -172.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 24.3 mt -104.34 134.15 46.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 104.359 -2.46 . . . . 0.0 104.359 166.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 52.0 t -133.09 146.02 33.15 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 -175.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -149.21 7.11 0.69 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.488 1.115 . . . . 0.0 111.953 -176.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.7 m . . . . . 0 C--O 1.25 1.107 0 C-N-CA 125.506 1.523 . . . . 0.0 110.883 -179.872 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.9 mtt . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 121.095 0.474 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 63.9 tp -135.17 166.74 22.39 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.33 1.852 . . . . 0.0 107.591 -173.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -139.05 151.59 46.89 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 124.643 1.177 . . . . 0.0 108.429 177.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -141.23 167.18 22.81 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.356 0.598 . . . . 0.0 110.988 165.098 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.7 ttt180 -126.91 134.67 50.4 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 105.42 -2.067 . . . . 0.0 105.42 168.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.4 mt -132.81 141.84 43.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 106.487 -1.671 . . . . 0.0 106.487 -176.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.6 mm -122.01 142.55 37.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 105.527 -2.027 . . . . 0.0 105.527 174.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.1 t -131.2 121.56 49.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 -177.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -99.61 135.85 40.42 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 126.166 1.786 . . . . 0.0 107.093 174.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.49 -174.28 38.86 Favored Glycine 0 C--N 1.334 0.447 0 CA-C-N 118.434 0.561 . . . . 0.0 113.003 -179.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -70.17 100.89 1.75 Allowed 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 104.979 -2.23 . . . . 0.0 104.979 153.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.3 m -141.89 -29.01 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -178.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -79.58 -51.84 8.77 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 120.803 -1.186 . . . . 0.0 111.207 -170.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.76 -32.07 70.42 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.82 -0.512 . . . . 0.0 111.82 -175.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.2 m -73.66 -6.68 8.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 124.581 1.152 . . . . 0.0 112.182 174.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.65 35.29 62.52 Favored Glycine 0 C--N 1.34 0.778 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.259 174.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -49.68 -39.32 36.2 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 118.48 1.14 . . . . 0.0 111.6 -179.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.2 ptt-85 -50.21 -33.62 20.05 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 177.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -72.38 -41.0 66.82 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 119.9 1.227 . . . . 0.0 110.149 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -61.18 -46.58 89.89 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 174.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.4 t -57.83 -43.96 85.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 123.295 0.638 . . . . 0.0 109.893 176.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -56.8 -49.94 73.84 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-N 118.612 0.642 . . . . 0.0 110.393 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 64.9 mtt -70.38 -37.96 74.65 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.735 -0.212 . . . . 0.0 110.509 -174.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -68.94 -32.75 72.58 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.213 0.46 . . . . 0.0 111.618 178.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.6 -45.07 69.44 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 118.836 0.744 . . . . 0.0 110.33 172.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -64.22 -45.48 88.04 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 123.836 0.855 . . . . 0.0 111.329 -175.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -21.39 66.54 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 118.558 0.617 . . . . 0.0 112.213 177.488 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.0 tpt85 -100.33 8.78 43.46 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.212 1.005 . . . . 0.0 111.388 176.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.4 mttt 49.01 35.07 6.25 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.741 2.016 . . . . 0.0 113.155 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.7 mt -73.4 165.42 25.11 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 170.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -134.09 148.11 50.97 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.196 0.998 . . . . 0.0 109.155 176.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 139.17 -151.46 21.82 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 -168.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 16.6 p90 -142.38 166.34 24.94 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 118.148 0.974 . . . . 0.0 112.995 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.1 p -129.17 147.17 33.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 159.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -147.7 155.73 42.04 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.813 0.845 . . . . 0.0 111.073 -177.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -71.92 163.9 27.03 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 161.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 71.9 mtp85 -123.13 144.46 49.31 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 166.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -62.23 -31.08 71.58 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 122.984 0.514 . . . . 0.0 111.533 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -68.55 -10.5 56.11 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.297 1.039 . . . . 0.0 113.521 176.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.75 -15.89 26.29 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 124.397 0.998 . . . . 0.0 113.194 173.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 -70.74 173.79 6.81 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 118.753 1.276 . . . . 0.0 111.25 175.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.1 t -116.55 148.83 19.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 105.067 -2.197 . . . . 0.0 105.067 162.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -131.87 140.72 49.19 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 -177.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.5 mt -135.03 140.28 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 N-CA-C 104.417 -2.438 . . . . 0.0 104.417 -169.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.9 tt -145.47 119.82 9.61 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 105.156 -2.165 . . . . 0.0 105.156 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -140.85 146.74 37.93 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 122.867 0.467 . . . . 0.0 110.311 -170.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -123.94 142.06 51.48 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 127.497 2.319 . . . . 0.0 106.898 176.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 171.27 -171.75 44.12 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.764 -0.534 . . . . 0.0 111.764 176.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -69.31 151.03 71.64 Favored 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 122.31 2.007 . . . . 0.0 109.726 169.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -59.42 -38.57 80.98 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.407 0.683 . . . . 0.0 111.522 -173.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -63.9 -43.88 94.67 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.075 0.852 . . . . 0.0 111.69 -178.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.0 -44.52 92.41 Favored 'General case' 0 C--N 1.339 0.126 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 176.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.1 mt -62.28 -45.48 93.07 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 118.868 -0.587 . . . . 0.0 110.843 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -63.86 -43.65 95.47 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 119.754 1.161 . . . . 0.0 110.713 178.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.6 m -57.57 -39.59 77.08 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.201 0.524 . . . . 0.0 110.383 174.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -70.33 -31.34 68.6 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 117.249 -1.358 . . . . 0.0 111.577 178.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.3 t -62.3 -45.22 99.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 121.448 1.931 . . . . 0.0 108.828 168.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -60.85 -35.72 77.3 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.732 0.696 . . . . 0.0 111.061 -179.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.28 -51.72 54.61 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.204 0.457 . . . . 0.0 111.345 171.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.1 t -63.47 -42.64 96.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 124.342 1.057 . . . . 0.0 111.106 -172.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -64.08 -18.83 64.76 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 119.288 0.949 . . . . 0.0 112.835 -175.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -67.42 -27.43 67.06 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.651 0.659 . . . . 0.0 111.77 173.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.22 -172.9 33.31 Favored Glycine 0 CA--C 1.534 1.264 0 N-CA-C 109.295 -1.522 . . . . 0.0 109.295 -154.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 80.1 p -67.42 162.16 58.56 Favored Pre-proline 0 CA--C 1.539 0.551 0 O-C-N 120.766 -1.432 . . . . 0.0 108.251 160.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.3 -2.39 1.3 Allowed 'Trans proline' 0 CA--C 1.546 1.084 0 C-N-CA 123.163 2.575 . . . . 0.0 114.546 167.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -113.84 -11.51 12.85 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.98 1.312 . . . . 0.0 111.675 174.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.6 m -72.99 171.16 13.35 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.79 0.836 . . . . 0.0 111.335 177.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -139.08 94.52 2.82 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 105.467 -2.049 . . . . 0.0 105.467 165.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.4 t -64.96 133.5 30.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 172.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.2 p -116.82 -20.32 9.51 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.803 1.241 . . . . 0.0 111.01 176.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -159.08 160.78 36.15 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 119.29 0.95 . . . . 0.0 109.429 164.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.8 tt -142.92 145.87 22.45 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 C-N-CA 125.365 1.466 . . . . 0.0 108.042 177.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.5 m -138.0 146.75 43.48 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 125.494 1.518 . . . . 0.0 108.186 -174.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.1 t -140.77 145.41 25.52 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 C-N-CA 124.144 0.978 . . . . 0.0 109.107 -172.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.3 m -132.97 139.27 47.2 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 105.62 -1.992 . . . . 0.0 105.62 162.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -119.26 142.02 48.44 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.71 134.0 20.63 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 -164.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 97.1 mtt-85 -86.44 53.99 3.0 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 168.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.8 m -138.18 96.17 3.14 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 -165.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.31 144.78 49.83 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -173.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -87.0 -19.63 28.42 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.705 1.202 . . . . 0.0 110.722 169.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 65.12 16.26 61.91 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.461 1.029 . . . . 0.0 112.903 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -72.32 162.97 28.74 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.119 0.968 . . . . 0.0 110.174 178.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -131.64 9.93 4.69 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.491 1.116 . . . . 0.0 111.451 -179.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -148.37 165.24 31.67 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 125.283 1.433 . . . . 0.0 108.114 174.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -96.45 150.75 20.26 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 162.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 55.0 m -137.53 161.35 36.62 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.648 0.779 . . . . 0.0 111.621 -175.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 30.5 mt -109.66 136.52 45.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 N-CA-C 105.114 -2.18 . . . . 0.0 105.114 166.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 95.5 t -133.94 152.25 34.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 -172.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -136.06 9.68 3.27 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.827 0.851 . . . . 0.0 112.245 -175.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.1 m . . . . . 0 C--O 1.252 1.195 0 C-N-CA 124.656 1.182 . . . . 0.0 110.528 176.54 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 80.7 mmm . . . . . 0 N--CA 1.482 1.128 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 62.2 tp -150.8 166.64 29.89 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.163 1.385 . . . . 0.0 108.394 -169.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -137.04 151.73 49.27 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.856 1.263 . . . . 0.0 107.962 176.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -140.57 164.28 30.59 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.134 0.493 . . . . 0.0 110.699 161.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.4 ttm-85 -115.11 140.29 49.19 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 105.554 -2.017 . . . . 0.0 105.554 160.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.8 mt -131.65 137.33 55.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 23.0 mm -113.57 141.6 28.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 105.358 -2.09 . . . . 0.0 105.358 175.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.7 t -136.82 139.62 44.41 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 -177.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -141.02 153.67 45.64 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 125.092 1.357 . . . . 0.0 109.657 -174.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.75 -156.34 22.06 Favored Glycine 0 CA--C 1.523 0.575 0 C-N-CA 125.586 1.565 . . . . 0.0 109.442 -175.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.5 ttt85 -72.1 83.6 0.99 Allowed 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 162.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.6 m -135.87 9.63 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 123.301 0.64 . . . . 0.0 112.235 -173.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -133.28 152.68 51.94 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 169.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.18 18.56 79.29 Favored Glycine 0 CA--C 1.535 1.288 0 CA-C-O 119.582 -0.565 . . . . 0.0 112.765 -171.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.2 m -137.08 23.59 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 C-N-CA 125.39 1.476 . . . . 0.0 110.89 -172.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 70.87 5.26 57.19 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 124.319 0.961 . . . . 0.0 114.161 175.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -61.83 -36.15 80.33 Favored 'General case' 0 C--N 1.339 0.118 0 CA-C-N 119.04 1.42 . . . . 0.0 112.531 -168.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -58.7 -40.39 83.51 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.55 1.068 . . . . 0.0 110.962 177.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -72.2 -37.56 69.24 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-O 118.913 -0.565 . . . . 0.0 110.616 177.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -57.41 -51.84 67.78 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.997 0.817 . . . . 0.0 109.728 175.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.2 t -58.76 -42.7 86.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 123.969 0.908 . . . . 0.0 109.671 177.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -56.73 -50.33 72.53 Favored 'General case' 0 C--N 1.342 0.252 0 CA-C-N 119.007 0.821 . . . . 0.0 111.097 179.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.0 mmt -73.62 -36.23 65.43 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 -172.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -68.59 -30.49 69.25 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 119.029 -0.51 . . . . 0.0 111.57 176.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.37 -43.88 63.35 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 118.955 0.798 . . . . 0.0 110.631 172.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -65.3 -45.48 84.2 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 123.917 0.887 . . . . 0.0 111.352 -175.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -14.94 54.76 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 118.535 0.607 . . . . 0.0 112.602 176.019 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.8 tpt85 -110.94 12.35 22.19 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.833 1.253 . . . . 0.0 111.071 178.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt 51.24 31.7 7.21 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.526 1.93 . . . . 0.0 113.236 176.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.9 mt -76.08 167.36 22.01 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.716 -0.615 . . . . 0.0 109.786 174.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.51 152.78 50.9 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 124.58 1.152 . . . . 0.0 109.019 171.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 141.28 -155.93 25.4 Favored Glycine 0 CA--C 1.532 1.108 0 CA-C-O 119.415 -0.658 . . . . 0.0 111.616 -166.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.7 p90 -140.19 164.07 31.04 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 118.544 1.172 . . . . 0.0 113.135 -177.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.7 p -132.92 137.91 52.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 C-N-CA 124.028 0.931 . . . . 0.0 108.799 159.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -161.62 174.58 13.11 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.839 1.256 . . . . 0.0 111.545 -173.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -71.46 165.98 22.69 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.634 -0.666 . . . . 0.0 110.226 164.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 48.1 ttt85 -128.53 151.94 48.86 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 169.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -56.07 -32.01 63.71 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -165.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -65.9 -20.95 66.4 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.709 0.804 . . . . 0.0 112.838 177.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.19 3.56 26.03 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 126.512 2.006 . . . . 0.0 112.835 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -86.29 172.43 10.47 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 118.481 1.14 . . . . 0.0 109.164 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.9 t -92.4 146.29 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 168.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -125.92 135.6 52.08 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 174.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.5 mt -124.31 142.14 42.11 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 N-CA-C 103.865 -2.643 . . . . 0.0 103.865 176.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.8 tt -143.82 123.73 13.51 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 105.194 -2.15 . . . . 0.0 105.194 176.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -142.96 148.93 37.67 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 118.614 0.643 . . . . 0.0 110.601 -173.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -127.06 143.66 51.23 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 126.674 1.99 . . . . 0.0 107.983 177.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 170.93 -171.68 43.97 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 123.725 0.678 . . . . 0.0 111.549 175.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -54.9 145.18 63.59 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 123.042 2.495 . . . . 0.0 110.777 166.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -59.17 -40.7 86.45 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 122.076 -0.39 . . . . 0.0 110.941 -177.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -64.36 -43.65 93.87 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 121.821 -0.549 . . . . 0.0 111.208 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.13 -44.44 94.93 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 123.104 0.562 . . . . 0.0 110.255 176.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.9 mt -64.17 -38.73 92.11 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 118.225 -0.893 . . . . 0.0 111.121 177.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -63.22 -45.55 91.12 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 120.293 1.406 . . . . 0.0 110.913 176.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.1 m -56.07 -38.51 70.74 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.703 0.683 . . . . 0.0 110.646 173.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -71.52 -31.46 67.08 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-O 117.405 -1.283 . . . . 0.0 111.928 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.9 t -63.65 -44.23 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 121.438 1.927 . . . . 0.0 108.599 169.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -60.41 -34.09 73.44 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.776 0.716 . . . . 0.0 111.393 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.23 -54.47 17.49 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.076 0.551 . . . . 0.0 111.219 171.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 28.8 t -61.67 -41.57 90.93 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 C-N-CA 124.346 1.058 . . . . 0.0 110.675 -172.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -64.58 -15.48 61.13 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -177.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -69.88 -27.5 64.86 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 119.244 0.929 . . . . 0.0 111.813 172.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.73 -175.38 30.67 Favored Glycine 0 CA--C 1.536 1.37 0 N-CA-C 109.413 -1.475 . . . . 0.0 109.413 -154.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.6 p -68.84 162.16 66.2 Favored Pre-proline 0 CA--C 1.538 0.502 0 O-C-N 120.896 -1.355 . . . . 0.0 108.524 163.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -48.73 -12.47 0.2 Allowed 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 124.315 3.343 . . . . 0.0 115.782 161.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -113.82 -7.07 13.24 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.992 1.317 . . . . 0.0 111.784 -178.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.2 m -81.03 171.68 14.67 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.687 1.195 . . . . 0.0 111.604 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -139.86 88.65 2.25 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 105.444 -2.058 . . . . 0.0 105.444 155.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.1 p -59.78 136.02 23.8 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 165.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.4 p -119.97 -16.55 8.62 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.358 1.063 . . . . 0.0 110.798 177.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -154.51 146.44 23.52 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 124.139 0.976 . . . . 0.0 109.612 174.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.2 tt -145.69 145.45 20.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 C-N-CA 125.873 1.669 . . . . 0.0 107.9 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.8 m -140.2 150.56 44.31 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 125.724 1.61 . . . . 0.0 108.523 -176.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.5 t -138.8 143.2 32.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 C-N-CA 124.308 1.043 . . . . 0.0 108.726 -171.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.2 m -139.09 112.15 7.97 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 106.581 -1.636 . . . . 0.0 106.581 172.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -75.2 157.01 35.21 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 121.758 -0.589 . . . . 0.0 109.588 171.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.9 m -162.79 175.31 11.41 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.055 1.742 . . . . 0.0 109.178 178.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -127.91 25.58 5.93 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.074 0.949 . . . . 0.0 110.476 174.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.6 m -86.12 74.77 10.01 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 176.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 26.5 mt -63.67 124.78 22.3 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.383 -160.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.425 ' C ' ' H ' ' A' ' 83' ' ' HIS . 72.7 mm-40 -78.17 65.91 3.65 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.456 1.502 . . . . 0.0 108.353 165.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -69.31 12.26 1.32 Allowed Glycine 0 CA--C 1.537 1.464 0 C-N-CA 125.471 1.51 . . . . 0.0 113.447 175.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.425 ' H ' ' C ' ' A' ' 81' ' ' GLU . 16.1 m80 -52.75 159.76 1.04 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.121 1.768 . . . . 0.0 112.178 170.19 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 -69.49 -27.49 65.26 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.807 0.843 . . . . 0.0 113.268 -172.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -147.15 167.29 24.52 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 118.985 0.811 . . . . 0.0 111.449 -170.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -86.32 148.3 25.67 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 162.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.2 m -138.58 158.7 43.76 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.072 0.851 . . . . 0.0 112.004 -170.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.4 mt -105.39 143.83 15.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 105.238 -2.134 . . . . 0.0 105.238 169.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.3 t -117.37 133.83 62.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 103.836 -2.653 . . . . 0.0 103.836 161.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -92.12 -7.67 47.89 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -165.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.5 m . . . . . 0 C--O 1.247 0.971 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 163.269 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.485 1.287 0 CA-C-O 120.962 0.41 . . . . 0.0 110.112 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 25.1 tp -134.82 176.45 8.64 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 126.026 1.73 . . . . 0.0 107.441 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -145.62 157.88 43.92 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.953 1.301 . . . . 0.0 108.548 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -146.12 168.85 19.95 Favored 'General case' 0 C--O 1.235 0.338 0 O-C-N 121.768 -0.582 . . . . 0.0 110.429 162.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -125.43 138.04 54.01 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 105.553 -2.017 . . . . 0.0 105.553 165.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.8 mt -133.63 138.5 50.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 106.284 -1.747 . . . . 0.0 106.284 -174.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.6 mm -116.2 139.66 41.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 105.23 -2.137 . . . . 0.0 105.23 173.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.6 t -132.55 136.11 56.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 -176.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -135.04 147.87 49.75 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 125.116 1.366 . . . . 0.0 108.668 -172.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.78 -156.82 22.68 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 -175.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -73.93 88.96 1.86 Allowed 'General case' 0 C--O 1.23 0.072 0 N-CA-C 106.83 -1.545 . . . . 0.0 106.83 165.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.6 m -130.48 11.26 2.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 124.74 1.216 . . . . 0.0 110.588 175.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -131.2 161.3 32.51 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 126.39 1.876 . . . . 0.0 106.869 169.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 60.87 20.66 57.62 Favored Glycine 0 CA--C 1.535 1.323 0 O-C-N 121.682 -0.636 . . . . 0.0 111.659 -163.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.5 m -148.26 151.85 13.0 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 C-N-CA 128.887 2.875 . . . . 0.0 104.456 173.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.1 35.04 2.15 Favored Glycine 0 CA--C 1.529 0.921 0 CA-C-O 119.315 -0.714 . . . . 0.0 113.674 -170.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -58.84 -37.74 77.13 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.85 1.325 . . . . 0.0 112.671 -169.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.9 mtm-85 -58.32 -39.7 80.13 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.136 0.88 . . . . 0.0 110.921 176.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -71.11 -38.89 72.34 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 118.572 0.624 . . . . 0.0 110.592 176.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -56.91 -52.64 64.36 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 119.104 0.865 . . . . 0.0 109.855 175.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.6 t -58.68 -41.58 82.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 123.732 0.813 . . . . 0.0 109.717 177.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -56.85 -50.62 71.88 Favored 'General case' 0 C--N 1.339 0.128 0 CA-C-N 118.729 0.695 . . . . 0.0 110.897 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 76.6 mtm -71.29 -36.69 71.76 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 119.457 -0.306 . . . . 0.0 110.181 -174.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -67.91 -30.86 70.3 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 118.287 0.494 . . . . 0.0 111.85 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.4 -43.02 61.39 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 118.912 0.778 . . . . 0.0 110.682 172.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -65.93 -44.48 85.0 Favored 'General case' 0 CA--C 1.527 0.075 0 C-N-CA 123.897 0.879 . . . . 0.0 111.302 -175.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -17.26 62.43 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 118.432 0.56 . . . . 0.0 112.349 175.288 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.6 tpt85 -105.82 8.43 32.78 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.731 1.213 . . . . 0.0 111.286 177.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp 49.16 33.61 5.14 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.89 2.076 . . . . 0.0 112.984 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.0 mt -75.59 166.09 24.1 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 121.772 -0.58 . . . . 0.0 109.741 173.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -132.57 149.03 52.38 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 124.354 1.061 . . . . 0.0 108.691 173.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 146.34 -162.42 28.42 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.531 -0.628 . . . . 0.0 111.531 -165.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 3.2 p90 -137.0 162.44 33.3 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 124.048 0.939 . . . . 0.0 112.144 177.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.3 p -131.21 142.08 44.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 158.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -153.79 155.13 35.27 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 124.124 0.969 . . . . 0.0 110.59 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -69.95 159.56 33.51 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 169.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 -120.31 132.61 55.37 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 167.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -59.99 -25.75 65.51 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.353 1.061 . . . . 0.0 112.624 -176.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.3 -21.16 63.69 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.9 0.88 . . . . 0.0 112.579 174.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.74 13.64 5.52 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 125.093 1.33 . . . . 0.0 113.238 175.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -113.15 -179.62 3.69 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 119.471 1.635 . . . . 0.0 109.292 -175.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 76.4 t -120.39 146.03 25.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 166.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -120.48 138.19 53.95 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 125.461 1.504 . . . . 0.0 107.023 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.0 mt -128.91 140.99 47.78 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 N-CA-C 104.568 -2.382 . . . . 0.0 104.568 177.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.8 tt -143.28 124.67 14.7 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 105.118 -2.179 . . . . 0.0 105.118 176.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -142.54 151.34 41.51 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 118.527 0.603 . . . . 0.0 109.992 -174.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -129.28 155.03 46.24 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 125.453 1.501 . . . . 0.0 109.177 168.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.75 -170.1 36.58 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.336 -0.706 . . . . 0.0 111.336 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -54.11 141.07 70.15 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 123.271 2.647 . . . . 0.0 110.728 168.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -63.3 -30.01 71.23 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.93 -0.481 . . . . 0.0 111.809 -179.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -67.43 -47.6 69.74 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 121.379 -0.826 . . . . 0.0 110.612 176.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.82 -44.45 94.02 Favored 'General case' 0 C--O 1.23 0.077 0 C-N-CA 123.433 0.693 . . . . 0.0 110.295 177.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 43.0 mt -61.92 -42.92 99.65 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 118.592 -0.718 . . . . 0.0 111.011 178.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -62.91 -46.17 89.06 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 119.854 1.207 . . . . 0.0 111.021 178.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.9 m -58.16 -36.52 73.14 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.602 0.637 . . . . 0.0 111.154 174.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -69.76 -32.94 71.72 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 117.427 -1.273 . . . . 0.0 111.42 178.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.5 t -62.69 -44.09 99.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-N 121.355 1.889 . . . . 0.0 109.111 168.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -60.13 -35.03 74.37 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.121 0.873 . . . . 0.0 111.162 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.51 -52.57 37.45 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 122.973 0.509 . . . . 0.0 111.21 171.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.1 t -62.79 -43.03 98.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 124.296 1.039 . . . . 0.0 110.93 -173.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -65.53 -18.07 65.04 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 118.713 0.688 . . . . 0.0 112.695 -175.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -69.72 -25.23 63.75 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 118.828 0.74 . . . . 0.0 111.578 172.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.35 -178.97 21.49 Favored Glycine 0 CA--C 1.534 1.237 0 N-CA-C 109.406 -1.478 . . . . 0.0 109.406 -153.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.0 p -68.83 159.52 81.97 Favored Pre-proline 0 CA--C 1.536 0.416 0 O-C-N 120.866 -1.373 . . . . 0.0 107.711 159.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -47.49 -27.25 7.15 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 123.298 2.666 . . . . 0.0 114.305 164.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -84.36 -27.62 27.58 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.671 0.788 . . . . 0.0 111.999 177.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 55.6 m -71.82 169.24 16.18 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 123.807 0.843 . . . . 0.0 111.573 -176.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -138.67 84.4 2.02 Favored 'General case' 0 N--CA 1.457 -0.105 0 N-CA-C 105.882 -1.896 . . . . 0.0 105.882 161.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.1 p -59.56 135.61 23.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 N-CA-C 107.316 -1.364 . . . . 0.0 107.316 165.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.8 p -119.59 -17.64 8.62 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.629 1.172 . . . . 0.0 110.599 177.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -154.77 150.5 27.61 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.253 1.021 . . . . 0.0 109.459 172.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.3 tt -145.88 145.85 19.84 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 125.649 1.58 . . . . 0.0 107.912 -178.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.7 m -137.7 144.97 42.01 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 125.893 1.677 . . . . 0.0 108.002 -174.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.0 t -137.48 143.98 32.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 124.148 0.979 . . . . 0.0 108.554 -173.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 57.6 m -135.81 114.41 11.83 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 105.609 -1.997 . . . . 0.0 105.609 171.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -77.21 148.37 35.89 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 171.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.6 m -151.6 169.05 23.06 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.906 1.283 . . . . 0.0 109.971 -168.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -141.54 29.13 1.77 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.842 0.857 . . . . 0.0 109.409 164.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.1 m -87.27 60.01 5.88 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.065 1.746 . . . . 0.0 107.587 -176.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 36.0 mt -53.0 141.91 21.07 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 124.581 1.152 . . . . 0.0 111.476 -162.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.35 -19.73 13.18 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.802 1.641 . . . . 0.0 110.82 -173.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.21 16.03 78.7 Favored Glycine 0 CA--C 1.528 0.848 0 CA-C-O 118.689 -1.062 . . . . 0.0 114.897 154.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -68.67 163.69 23.27 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 119.322 1.561 . . . . 0.0 109.784 169.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 24.3 p-80 -103.9 -2.01 26.84 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.708 0.803 . . . . 0.0 112.455 -178.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.55 162.86 40.64 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 124.265 1.026 . . . . 0.0 109.76 178.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -79.73 157.82 27.06 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 176.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.44 149.33 46.79 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.368 0.667 . . . . 0.0 110.949 -167.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 35.8 mt -104.68 135.89 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 104.473 -2.417 . . . . 0.0 104.473 162.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 61.9 t -130.98 145.5 35.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 -179.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -148.85 6.61 0.71 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.398 1.079 . . . . 0.0 112.001 -174.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.7 m . . . . . 0 C--O 1.248 1.023 0 C-N-CA 125.494 1.518 . . . . 0.0 110.949 -179.884 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 mmt . . . . . 0 N--CA 1.487 1.378 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 48.1 mt -129.42 -179.4 5.13 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 125.095 1.358 . . . . 0.0 108.111 171.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -152.0 149.84 29.32 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 125.988 1.715 . . . . 0.0 107.399 -170.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -146.47 166.18 27.2 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.995 0.426 . . . . 0.0 110.754 164.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.6 ttm-85 -118.27 141.89 48.05 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 105.601 -2.0 . . . . 0.0 105.601 158.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.8 mt -130.82 145.21 35.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 105.824 -1.917 . . . . 0.0 105.824 -178.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 21.0 mm -122.44 140.81 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 105.156 -2.165 . . . . 0.0 105.156 175.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.1 t -136.85 143.67 34.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 N-CA-C 107.019 -1.474 . . . . 0.0 107.019 -173.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -143.46 152.15 41.18 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 124.796 1.238 . . . . 0.0 109.267 -177.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 138.0 -156.56 23.89 Favored Glycine 0 CA--C 1.525 0.658 0 C-N-CA 124.971 1.272 . . . . 0.0 110.067 -176.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.3 ttp-105 -73.56 87.03 1.61 Allowed 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 161.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.3 m -133.59 13.49 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 C-N-CA 124.053 0.941 . . . . 0.0 111.158 -177.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.3 mp0 -138.88 164.47 29.59 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 125.784 1.633 . . . . 0.0 107.429 168.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.86 -51.53 3.81 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 109.357 -1.497 . . . . 0.0 109.357 -170.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.2 m -59.09 148.19 7.13 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 154.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.19 37.62 2.19 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 124.19 0.9 . . . . 0.0 112.715 -175.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -59.23 -39.43 82.71 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-N 118.052 0.926 . . . . 0.0 112.326 -166.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -59.81 -32.5 70.7 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.491 1.041 . . . . 0.0 111.792 178.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -73.67 -39.34 64.51 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.775 0.716 . . . . 0.0 109.898 176.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -55.9 -52.67 63.28 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.692 0.678 . . . . 0.0 109.439 174.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.4 t -57.8 -43.41 84.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 124.009 0.924 . . . . 0.0 110.003 178.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -55.65 -48.9 74.23 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.847 0.749 . . . . 0.0 110.652 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 76.8 mtm -73.81 -34.61 64.68 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 119.442 -0.313 . . . . 0.0 111.005 -174.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -70.94 -30.34 66.62 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.986 0.812 . . . . 0.0 111.55 176.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.23 -45.42 69.84 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 119.17 0.895 . . . . 0.0 109.845 170.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -63.66 -39.34 94.08 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 123.584 0.754 . . . . 0.0 111.761 -177.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.11 -26.01 67.26 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 119.367 0.985 . . . . 0.0 111.584 177.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -90.55 -0.43 57.67 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.97 0.908 . . . . 0.0 112.344 171.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm 46.09 39.0 5.33 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.088 1.755 . . . . 0.0 112.541 -172.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.6 mt -73.02 165.73 24.46 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 167.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.03 149.05 48.64 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.207 1.003 . . . . 0.0 108.875 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 142.64 -146.82 18.01 Favored Glycine 0 CA--C 1.531 1.086 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -167.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.4 p90 -146.71 169.01 19.93 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.013 0.907 . . . . 0.0 113.281 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 p -130.46 144.0 39.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 160.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -151.79 151.36 31.26 Favored 'General case' 0 CA--C 1.519 -0.246 0 O-C-N 121.745 -0.597 . . . . 0.0 111.153 176.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -66.25 149.85 49.71 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 160.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -106.94 139.86 40.67 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 168.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -58.54 -28.2 65.25 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.68 0.792 . . . . 0.0 112.647 -175.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -59.29 -31.52 69.21 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.91 0.884 . . . . 0.0 112.51 174.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.76 3.65 10.96 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 124.935 1.255 . . . . 0.0 113.474 -178.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.91 -179.71 5.55 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 119.685 1.742 . . . . 0.0 109.492 171.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 76.0 t -118.93 152.21 21.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 167.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -125.65 144.21 50.69 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 125.428 1.491 . . . . 0.0 107.617 177.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -120.54 147.96 24.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 N-CA-C 104.877 -2.268 . . . . 0.0 104.877 168.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.5 tt -144.1 126.68 16.0 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 105.239 -2.134 . . . . 0.0 105.239 168.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -142.76 156.13 44.95 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 118.483 0.583 . . . . 0.0 109.788 -178.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -135.23 155.05 51.31 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 125.677 1.591 . . . . 0.0 109.008 166.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 156.74 -166.72 33.48 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 123.626 0.631 . . . . 0.0 111.641 -178.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -57.22 143.19 94.14 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 123.687 2.925 . . . . 0.0 111.159 172.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -42.23 89.21 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 122.981 0.512 . . . . 0.0 112.115 -179.03 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -67.8 -38.07 82.82 Favored 'General case' 0 C--O 1.233 0.224 0 O-C-N 121.465 -0.772 . . . . 0.0 111.364 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.85 -44.08 90.91 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 122.761 0.424 . . . . 0.0 110.042 175.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.4 mt -61.84 -46.53 89.07 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.806 0.842 . . . . 0.0 110.513 177.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -61.42 -44.56 96.92 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 119.265 0.939 . . . . 0.0 110.622 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.1 m -58.7 -37.75 76.78 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 120.969 0.414 . . . . 0.0 110.688 176.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -70.66 -31.09 67.88 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 117.509 -1.234 . . . . 0.0 111.683 176.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.2 t -62.76 -44.31 99.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-N 121.289 1.859 . . . . 0.0 109.179 168.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -59.07 -37.97 78.34 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.051 0.841 . . . . 0.0 110.41 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.81 -51.18 58.65 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 122.791 0.436 . . . . 0.0 111.547 174.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 31.6 t -63.3 -44.69 99.25 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 124.219 1.008 . . . . 0.0 110.564 -175.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.9 pttt -65.68 -22.4 66.63 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.824 0.738 . . . . 0.0 112.408 -172.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -66.49 -27.95 68.19 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.265 0.484 . . . . 0.0 111.48 173.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.0 -177.74 38.13 Favored Glycine 0 CA--C 1.531 1.065 0 N-CA-C 109.354 -1.498 . . . . 0.0 109.354 -155.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 96.3 p -66.2 160.22 66.17 Favored Pre-proline 0 CA--C 1.539 0.522 0 O-C-N 121.084 -1.245 . . . . 0.0 108.022 158.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_exo -46.62 -26.33 4.28 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 123.439 2.759 . . . . 0.0 114.818 164.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -86.8 -26.69 23.97 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.636 0.774 . . . . 0.0 111.981 177.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.9 m -70.72 172.75 8.19 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.133 0.973 . . . . 0.0 111.373 -178.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -142.09 97.99 3.24 Favored 'General case' 0 CA--C 1.522 -0.097 0 N-CA-C 105.869 -1.9 . . . . 0.0 105.869 160.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 67.5 t -64.26 135.66 27.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 168.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.5 p -118.2 -18.97 9.19 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.994 0.918 . . . . 0.0 110.697 174.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -154.86 150.07 27.07 Favored 'General case' 0 C--N 1.341 0.22 0 C-N-CA 124.198 0.999 . . . . 0.0 109.301 172.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.0 tt -148.27 146.24 17.93 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 125.517 1.527 . . . . 0.0 107.975 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.6 m -139.86 149.76 43.81 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 126.003 1.721 . . . . 0.0 108.275 -176.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.4 t -138.39 144.37 30.49 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 124.17 0.988 . . . . 0.0 108.702 -172.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.1 m -134.91 103.96 5.79 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 105.781 -1.933 . . . . 0.0 105.781 170.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -74.43 149.53 40.37 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 170.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.3 m -148.75 163.84 36.15 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.335 1.454 . . . . 0.0 109.722 -171.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 60.5 ttp85 -144.06 47.77 1.41 Allowed 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.368 1.067 . . . . 0.0 108.697 176.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.0 m -134.65 59.62 1.73 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.961 2.104 . . . . 0.0 106.272 -172.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.5 mt -49.14 148.37 2.48 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 126.897 2.079 . . . . 0.0 113.705 -157.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -68.2 -40.09 82.27 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.405 1.082 . . . . 0.0 109.301 172.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 62.29 38.08 95.64 Favored Glycine 0 CA--C 1.533 1.198 0 N-CA-C 110.297 -1.121 . . . . 0.0 110.297 -166.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.55 166.28 22.14 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.728 1.211 . . . . 0.0 109.992 -178.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -129.53 3.75 5.07 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.046 0.939 . . . . 0.0 112.001 -178.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.9 ptt85 -154.21 157.5 38.88 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 125.612 1.565 . . . . 0.0 108.582 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -86.21 149.15 25.29 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 154.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 m -138.73 162.43 34.71 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 122.842 0.457 . . . . 0.0 111.168 -167.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 24.7 mt -118.3 139.53 45.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 N-CA-C 105.927 -1.879 . . . . 0.0 105.927 169.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -132.88 167.96 25.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 C-N-CA 124.382 1.073 . . . . 0.0 108.578 174.185 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -138.34 80.61 1.8 Allowed 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 -158.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.7 m . . . . . 0 C--O 1.251 1.136 0 C-N-CA 124.966 1.306 . . . . 0.0 110.336 -175.769 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.4 mmm . . . . . 0 N--CA 1.486 1.341 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 76.8 mt -142.16 -179.66 6.37 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 125.793 1.637 . . . . 0.0 108.308 176.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -136.86 154.79 50.4 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 125.343 1.457 . . . . 0.0 108.563 175.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -140.69 169.51 17.5 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.379 0.609 . . . . 0.0 110.805 157.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -132.98 133.46 43.18 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 105.104 -2.184 . . . . 0.0 105.104 170.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.9 mt -131.76 137.34 55.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 106.298 -1.742 . . . . 0.0 106.298 -172.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.4 mm -113.14 139.71 36.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 105.18 -2.156 . . . . 0.0 105.18 174.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.0 t -134.87 137.2 51.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 -178.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -132.04 151.17 51.91 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 125.219 1.408 . . . . 0.0 108.788 -174.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.38 -157.37 22.27 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 177.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.5 ttp-105 -72.98 87.97 1.36 Allowed 'General case' 0 C--O 1.23 0.067 0 N-CA-C 106.922 -1.511 . . . . 0.0 106.922 167.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.4 m -133.18 -31.42 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 124.051 0.94 . . . . 0.0 111.406 176.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -83.79 -39.11 20.43 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 120.774 -1.204 . . . . 0.0 110.933 -174.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.5 1.1 38.14 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 123.773 0.702 . . . . 0.0 113.46 178.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.5 m -130.82 10.83 2.0 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 C-N-CA 126.018 1.727 . . . . 0.0 110.947 -174.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.85 30.97 72.44 Favored Glycine 0 C--N 1.343 0.917 0 CA-C-O 119.262 -0.744 . . . . 0.0 113.673 169.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -53.58 -31.42 46.69 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 118.545 1.172 . . . . 0.0 112.794 -177.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -55.08 -37.49 66.86 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 119.136 0.88 . . . . 0.0 111.386 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -71.51 -39.6 70.68 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 118.624 0.647 . . . . 0.0 110.823 178.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -59.26 -49.57 77.33 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 118.751 0.705 . . . . 0.0 109.622 175.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.8 t -57.9 -42.85 83.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 C-N-CA 123.354 0.662 . . . . 0.0 109.898 175.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -56.94 -48.97 77.05 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 118.724 0.693 . . . . 0.0 110.849 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 95.7 mtp -71.22 -37.83 72.04 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 122.517 0.327 . . . . 0.0 110.218 -175.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -69.03 -30.32 68.66 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 119.166 -0.445 . . . . 0.0 111.683 177.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.31 -44.73 62.28 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 118.976 0.807 . . . . 0.0 110.12 172.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -63.88 -42.01 97.59 Favored 'General case' 0 C--O 1.23 0.058 0 C-N-CA 123.787 0.835 . . . . 0.0 111.522 -176.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -13.51 62.13 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.363 -0.835 . . . . 0.0 112.766 177.23 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -104.28 1.14 30.08 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.336 1.054 . . . . 0.0 111.771 170.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt 41.79 42.88 2.32 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.446 1.899 . . . . 0.0 112.397 -170.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.4 mt -69.42 165.56 20.57 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 166.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.5 141.8 43.49 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 123.405 0.682 . . . . 0.0 109.574 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 144.87 -154.37 25.83 Favored Glycine 0 CA--C 1.533 1.195 0 CA-C-O 119.771 -0.461 . . . . 0.0 112.34 -165.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.0 p90 -140.26 165.38 27.55 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 117.935 0.867 . . . . 0.0 112.931 -176.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.3 p -136.96 138.67 45.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 160.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -160.53 176.31 11.74 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.853 0.861 . . . . 0.0 111.422 -171.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -69.47 159.93 32.36 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.329 0.652 . . . . 0.0 110.272 165.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 53.7 ttt85 -129.78 140.54 51.03 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 165.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -57.56 -29.76 64.68 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.865 1.266 . . . . 0.0 114.139 -160.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -63.65 -20.85 66.02 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 177.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.88 32.14 1.23 Allowed Glycine 0 CA--C 1.527 0.843 0 C-N-CA 125.369 1.462 . . . . 0.0 112.008 173.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -124.63 173.41 8.53 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 118.592 1.196 . . . . 0.0 109.373 -169.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.4 t -95.82 146.66 6.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 106.006 -1.849 . . . . 0.0 106.006 166.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -127.93 139.7 52.43 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 175.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.0 mt -129.53 142.23 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 N-CA-C 104.682 -2.34 . . . . 0.0 104.682 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.1 tt -143.98 129.46 19.02 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 105.589 -2.004 . . . . 0.0 105.589 177.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.1 143.8 31.3 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 118.318 0.508 . . . . 0.0 109.967 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -99.67 154.05 18.6 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 156.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 173.55 177.77 43.02 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-O 119.823 -0.432 . . . . 0.0 112.732 177.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -72.54 153.75 54.98 Favored 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 122.853 2.369 . . . . 0.0 109.685 167.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -58.83 -42.99 90.57 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.342 0.657 . . . . 0.0 111.781 -170.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -64.24 -42.31 96.58 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 118.629 0.65 . . . . 0.0 111.499 -176.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.24 -43.53 86.31 Favored 'General case' 0 N--CA 1.457 -0.091 0 N-CA-C 110.108 -0.331 . . . . 0.0 110.108 177.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 46.7 mt -61.51 -46.7 88.85 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.001 0.52 . . . . 0.0 110.463 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -63.16 -44.62 94.99 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 119.569 1.077 . . . . 0.0 110.971 178.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.3 m -58.26 -39.46 79.23 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 121.228 0.537 . . . . 0.0 110.548 175.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -69.7 -31.56 69.66 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-O 116.989 -1.482 . . . . 0.0 111.234 178.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 38.2 t -62.02 -47.43 93.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 121.571 1.987 . . . . 0.0 108.669 167.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -59.07 -35.15 72.88 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.763 0.711 . . . . 0.0 110.81 -176.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.79 -56.48 9.03 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.243 0.617 . . . . 0.0 111.763 170.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.7 t -57.69 -46.62 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 C-N-CA 125.048 1.339 . . . . 0.0 111.017 -172.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.4 pptp? -64.59 -18.2 64.67 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -174.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -68.0 -27.78 66.86 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.888 0.767 . . . . 0.0 111.713 172.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.68 -174.17 39.75 Favored Glycine 0 CA--C 1.534 1.256 0 N-CA-C 109.41 -1.476 . . . . 0.0 109.41 -154.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.7 m -63.55 158.4 59.22 Favored Pre-proline 0 CA--C 1.539 0.547 0 O-C-N 121.164 -1.198 . . . . 0.0 108.011 158.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_exo -46.83 -33.57 14.35 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.267 2.645 . . . . 0.0 114.202 165.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -79.28 -17.82 53.92 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.166 0.987 . . . . 0.0 113.271 178.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.3 m -73.95 171.25 13.8 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.881 0.872 . . . . 0.0 112.84 -173.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 54.1 tttp -137.6 96.91 3.33 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 105.24 -2.133 . . . . 0.0 105.24 161.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 66.8 t -64.63 134.04 29.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 168.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.8 p -117.19 -19.62 9.58 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.008 0.923 . . . . 0.0 110.813 177.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -155.49 151.0 27.19 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 124.631 1.172 . . . . 0.0 108.742 169.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 12.7 tt -142.88 142.16 26.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 125.502 1.521 . . . . 0.0 107.174 174.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 66.7 m -136.71 150.81 48.64 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 125.73 1.612 . . . . 0.0 108.386 -178.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.2 t -140.65 145.54 25.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 124.127 0.971 . . . . 0.0 108.883 -169.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.2 m -131.09 137.12 48.96 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 164.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -119.91 144.01 47.66 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 54.4 m -147.3 157.33 43.55 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.946 0.898 . . . . 0.0 110.344 -163.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -122.69 53.0 1.29 Allowed 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.289 1.436 . . . . 0.0 107.185 176.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.3 m -139.97 130.42 25.48 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 105.182 -2.155 . . . . 0.0 105.182 -178.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -87.44 168.23 13.29 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -174.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -117.4 -14.63 10.36 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.118 1.367 . . . . 0.0 111.243 -171.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 71.42 2.96 51.97 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 124.919 1.247 . . . . 0.0 113.147 173.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -72.3 153.57 41.45 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.024 0.93 . . . . 0.0 108.977 176.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -129.47 13.9 6.03 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.576 1.151 . . . . 0.0 110.576 176.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.56 167.06 30.1 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 126.341 1.856 . . . . 0.0 107.485 177.204 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -102.7 152.03 21.69 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 169.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.5 m -134.38 151.84 51.44 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 123.426 0.69 . . . . 0.0 111.998 -177.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 38.4 mt -97.59 146.78 7.23 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 104.873 -2.269 . . . . 0.0 104.873 159.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.2 t -119.36 130.45 73.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 N-CA-C 105.448 -2.056 . . . . 0.0 105.448 160.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -94.35 18.43 11.13 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.079 0.952 . . . . 0.0 112.081 -164.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.251 1.167 0 C-N-CA 125.891 1.676 . . . . 0.0 111.127 178.961 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 mmt . . . . . 0 N--CA 1.486 1.329 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 46.0 mt -135.92 175.27 9.75 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 124.772 1.229 . . . . 0.0 108.189 172.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -136.72 150.47 48.45 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 125.761 1.624 . . . . 0.0 107.851 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -138.65 168.21 20.28 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.483 0.658 . . . . 0.0 110.356 166.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -131.04 136.52 48.54 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 105.261 -2.126 . . . . 0.0 105.261 166.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.7 mt -132.06 136.68 56.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.0 mm -113.22 139.24 39.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 105.133 -2.173 . . . . 0.0 105.133 175.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.5 t -135.62 139.84 45.65 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 -174.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -142.39 154.11 44.34 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 125.302 1.441 . . . . 0.0 109.569 -174.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.01 -153.79 21.08 Favored Glycine 0 CA--C 1.522 0.512 0 C-N-CA 125.484 1.516 . . . . 0.0 109.497 -175.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -73.62 79.66 1.5 Allowed 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 163.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.2 m -131.57 7.8 1.79 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 123.453 0.701 . . . . 0.0 111.906 -172.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -132.16 153.19 50.79 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 168.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.82 18.81 79.68 Favored Glycine 0 CA--C 1.537 1.407 0 CA-C-O 119.706 -0.497 . . . . 0.0 112.586 -169.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 m -137.45 19.71 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 125.652 1.581 . . . . 0.0 110.967 -173.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.55 12.11 60.95 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 124.324 0.964 . . . . 0.0 114.196 176.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -61.17 -39.19 89.19 Favored 'General case' 0 C--N 1.339 0.138 0 CA-C-N 118.838 1.319 . . . . 0.0 112.419 -166.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 90.0 mtm-85 -62.04 -33.76 74.97 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.892 1.224 . . . . 0.0 111.855 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -70.21 -39.59 75.07 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 118.95 0.796 . . . . 0.0 110.358 174.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -57.51 -51.28 70.11 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.732 0.696 . . . . 0.0 109.854 175.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.6 t -57.86 -43.16 83.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 123.729 0.811 . . . . 0.0 109.719 176.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -58.3 -49.56 76.71 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 118.79 0.723 . . . . 0.0 110.996 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.5 mtt -72.38 -36.58 68.74 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 -174.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -68.9 -30.36 68.83 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 118.947 -0.549 . . . . 0.0 111.618 177.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.07 -43.56 64.67 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 119.068 0.849 . . . . 0.0 110.319 171.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -66.31 -43.92 84.9 Favored 'General case' 0 N--CA 1.461 0.092 0 C-N-CA 123.685 0.794 . . . . 0.0 111.654 -175.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.35 -16.12 59.46 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.906 0.776 . . . . 0.0 112.397 176.101 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.9 tpt85 -108.71 5.21 24.58 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.961 1.304 . . . . 0.0 111.122 177.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt 39.37 44.46 1.09 Allowed 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 127.729 2.412 . . . . 0.0 113.224 -174.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.1 mt -72.89 165.82 24.19 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 165.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.23 151.31 50.88 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 124.292 1.037 . . . . 0.0 109.289 175.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 140.69 -154.44 24.27 Favored Glycine 0 CA--C 1.531 1.045 0 CA-C-N 118.092 0.405 . . . . 0.0 112.439 -171.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.8 p90 -138.65 163.89 30.94 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.069 0.947 . . . . 0.0 112.513 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.4 p -130.99 140.27 49.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 N-CA-C 107.481 -1.304 . . . . 0.0 107.481 157.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -154.3 163.7 39.74 Favored 'General case' 0 C--N 1.338 0.101 0 C-N-CA 123.502 0.721 . . . . 0.0 111.965 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -64.54 132.92 51.25 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 162.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -88.13 147.09 25.08 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 168.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -56.25 -31.72 63.82 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -173.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -64.21 -21.9 66.74 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.279 1.032 . . . . 0.0 113.109 176.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.68 0.23 29.05 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 125.797 1.665 . . . . 0.0 112.966 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -81.31 175.65 10.41 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 118.724 1.262 . . . . 0.0 108.745 174.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.3 t -101.6 143.37 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 168.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -123.08 136.01 54.63 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 125.525 1.53 . . . . 0.0 106.883 177.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 23.5 mt -126.88 138.16 55.65 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 N-CA-C 103.92 -2.622 . . . . 0.0 103.92 179.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.7 tt -143.58 117.97 9.66 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 105.286 -2.116 . . . . 0.0 105.286 178.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.06 152.95 41.67 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.049 0.54 . . . . 0.0 110.303 -169.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -140.19 155.08 47.07 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 124.563 1.145 . . . . 0.0 111.36 174.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 159.07 -165.1 34.11 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.544 1.069 . . . . 0.0 111.0 -177.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.48 147.53 68.42 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 123.833 3.022 . . . . 0.0 112.033 174.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -62.9 -35.65 80.74 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.877 -0.514 . . . . 0.0 111.245 -178.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -70.67 -38.01 73.71 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.093 -1.004 . . . . 0.0 111.049 177.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.32 -44.29 92.04 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 122.894 0.477 . . . . 0.0 109.945 177.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.78 -43.22 99.29 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 118.343 -0.836 . . . . 0.0 110.308 176.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -60.28 -47.47 85.86 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 120.133 1.333 . . . . 0.0 111.534 177.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.8 m -56.62 -38.18 71.73 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 118.442 0.564 . . . . 0.0 110.836 174.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -70.0 -33.77 72.46 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 117.272 -1.347 . . . . 0.0 111.521 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.9 t -63.42 -44.53 98.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-N 121.347 1.885 . . . . 0.0 108.797 170.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -59.43 -35.59 74.31 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.87 0.759 . . . . 0.0 111.091 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.63 -53.47 27.71 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 122.945 0.498 . . . . 0.0 111.274 171.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.7 t -62.25 -42.57 95.81 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 C-N-CA 124.352 1.061 . . . . 0.0 111.08 -171.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -64.57 -19.07 65.43 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.92 0.782 . . . . 0.0 112.591 -175.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -69.4 -27.79 65.59 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.827 0.74 . . . . 0.0 111.737 174.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.27 -172.81 37.27 Favored Glycine 0 CA--C 1.535 1.331 0 N-CA-C 109.389 -1.485 . . . . 0.0 109.389 -154.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 99.4 p -66.81 161.44 61.34 Favored Pre-proline 0 CA--C 1.538 0.516 0 O-C-N 120.953 -1.322 . . . . 0.0 108.378 160.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -47.13 -24.69 3.69 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 123.619 2.879 . . . . 0.0 114.896 163.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -92.55 -18.4 23.18 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.097 0.959 . . . . 0.0 112.223 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.1 m -73.28 171.46 12.99 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.04 0.936 . . . . 0.0 112.043 -178.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -140.39 98.6 3.46 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 105.637 -1.986 . . . . 0.0 105.637 158.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.0 t -63.34 135.38 27.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 168.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.3 p -121.99 -16.38 7.57 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.636 0.774 . . . . 0.0 110.812 173.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -154.08 147.8 25.32 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.252 1.021 . . . . 0.0 109.253 172.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.6 tt -148.41 144.49 18.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 125.46 1.504 . . . . 0.0 107.854 -178.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.2 m -140.77 153.46 45.86 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 125.661 1.584 . . . . 0.0 108.736 -175.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.9 t -138.62 146.48 26.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 123.954 0.901 . . . . 0.0 109.535 -168.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -134.53 146.56 49.81 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 127.406 2.282 . . . . 0.0 105.725 170.429 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -124.73 154.59 40.63 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 124.33 1.052 . . . . 0.0 109.508 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.2 m -160.77 170.43 20.74 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.577 1.151 . . . . 0.0 110.256 -175.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -140.83 51.46 1.63 Allowed 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 125.296 1.438 . . . . 0.0 107.266 174.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.0 m -136.68 63.72 1.57 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 -155.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -55.95 136.42 51.84 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.774 -154.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.91 -22.67 15.67 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.328 1.451 . . . . 0.0 111.633 -175.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.29 17.99 72.62 Favored Glycine 0 CA--C 1.529 0.948 0 CA-C-O 118.112 -1.382 . . . . 0.0 115.487 151.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -61.15 150.45 34.2 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.997 1.899 . . . . 0.0 109.933 169.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 15.3 p-80 -82.33 4.58 23.27 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.616 1.166 . . . . 0.0 112.187 174.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.5 ptt-85 -158.71 171.16 20.61 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 125.432 1.493 . . . . 0.0 109.079 -167.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -89.47 155.57 19.22 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 154.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.0 m -135.14 150.37 50.17 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.638 0.775 . . . . 0.0 111.636 -176.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 28.3 mt -96.78 136.57 27.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 N-CA-C 104.142 -2.54 . . . . 0.0 104.142 157.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 47.9 t -132.32 148.21 31.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 178.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -149.5 6.08 0.64 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.355 1.062 . . . . 0.0 112.106 -176.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.6 m . . . . . 0 C--O 1.249 1.073 0 C-N-CA 125.504 1.522 . . . . 0.0 110.951 -179.613 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.7 mtt . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.902 0.382 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.7 mt -138.11 -179.72 5.95 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 126.053 1.741 . . . . 0.0 108.001 176.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -149.22 156.42 42.12 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -175.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -146.86 169.01 20.0 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.431 0.634 . . . . 0.0 111.109 167.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -122.9 140.1 53.34 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 105.447 -2.057 . . . . 0.0 105.447 161.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.7 mt -132.51 139.99 48.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 105.954 -1.869 . . . . 0.0 105.954 177.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.9 mm -119.19 137.88 51.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 104.889 -2.263 . . . . 0.0 104.889 173.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.1 t -131.64 139.22 51.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 -175.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -134.4 151.66 51.33 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 124.927 1.291 . . . . 0.0 109.029 -171.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.76 -155.17 21.07 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 124.698 1.142 . . . . 0.0 110.514 -179.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -73.8 84.93 1.68 Allowed 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 106.345 -1.724 . . . . 0.0 106.345 165.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.7 m -137.79 -17.17 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -173.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -80.9 -30.91 35.37 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 120.45 1.477 . . . . 0.0 113.558 -170.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -131.71 37.18 2.1 Favored Glycine 0 CA--C 1.525 0.713 0 C-N-CA 124.032 0.825 . . . . 0.0 111.963 -164.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.6 m -136.01 30.89 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 125.572 1.549 . . . . 0.0 110.158 -170.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.8 -8.83 40.72 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 121.375 -0.828 . . . . 0.0 113.599 177.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -61.5 -37.2 82.83 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 119.077 1.439 . . . . 0.0 113.236 -166.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.2 mtm105 -57.87 -38.59 76.01 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.701 1.137 . . . . 0.0 110.991 177.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -76.89 -36.38 56.74 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.489 0.716 . . . . 0.0 110.204 177.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -55.21 -51.75 65.57 Favored 'General case' 0 C--N 1.341 0.196 0 CA-C-N 118.78 0.718 . . . . 0.0 109.77 173.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.7 t -60.73 -40.35 84.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 C-N-CA 123.983 0.913 . . . . 0.0 110.077 177.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -56.34 -49.55 74.04 Favored 'General case' 0 C--N 1.341 0.198 0 CA-C-N 119.045 0.839 . . . . 0.0 110.627 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 76.2 mtm -72.68 -35.05 67.59 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 122.595 0.358 . . . . 0.0 110.564 -176.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -71.22 -25.07 62.33 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 118.593 -0.718 . . . . 0.0 112.482 178.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.33 -47.66 26.7 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 119.434 1.015 . . . . 0.0 109.503 168.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -59.7 -38.13 80.76 Favored 'General case' 0 CA--C 1.527 0.094 0 C-N-CA 123.603 0.761 . . . . 0.0 111.795 -176.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.258 0.0 OUTLIER -70.37 -2.22 12.99 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 178.851 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -121.79 8.48 9.98 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.191 1.396 . . . . 0.0 111.168 167.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 46.13 36.31 3.08 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.96 1.704 . . . . 0.0 112.375 -171.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.6 mt -69.63 162.96 26.59 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 171.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -143.22 145.8 33.1 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.272 0.629 . . . . 0.0 110.367 -170.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 138.19 -149.38 20.46 Favored Glycine 0 CA--C 1.535 1.322 0 N-CA-C 111.581 -0.607 . . . . 0.0 111.581 -163.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 13.6 p90 -141.37 167.29 22.53 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 118.159 0.979 . . . . 0.0 113.138 178.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.4 p -132.75 143.5 39.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 160.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.0 pttt -152.91 156.91 39.82 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 123.35 0.66 . . . . 0.0 110.415 -178.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -71.19 160.35 33.01 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 166.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 56.2 mtt180 -120.2 133.14 55.56 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 106.908 -1.516 . . . . 0.0 106.908 165.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -60.51 -25.06 65.8 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.174 0.99 . . . . 0.0 112.467 -175.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -62.03 -18.3 60.11 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.197 0.999 . . . . 0.0 112.761 174.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.72 15.25 4.94 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 124.974 1.273 . . . . 0.0 113.262 173.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 -116.81 -177.47 3.2 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 118.77 1.285 . . . . 0.0 109.49 -170.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.9 t -123.94 145.3 31.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 105.721 -1.955 . . . . 0.0 105.721 166.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -118.64 138.74 52.39 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 125.756 1.623 . . . . 0.0 106.775 176.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.9 mt -131.01 137.23 56.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 N-CA-C 104.35 -2.463 . . . . 0.0 104.35 177.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.9 tt -148.42 122.16 9.27 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 106.063 -1.828 . . . . 0.0 106.063 -176.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -153.35 163.28 40.2 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 118.532 0.605 . . . . 0.0 112.433 -173.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -127.36 145.64 50.74 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 127.887 2.475 . . . . 0.0 107.114 178.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 170.06 -174.75 44.2 Favored Glycine 0 CA--C 1.527 0.835 0 CA-C-O 119.849 -0.417 . . . . 0.0 112.872 174.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -55.16 141.42 80.17 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 123.582 2.855 . . . . 0.0 110.81 168.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -64.27 -31.9 73.28 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -175.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -71.43 -41.41 69.54 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 121.289 -0.882 . . . . 0.0 110.923 177.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.01 -43.16 96.46 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 122.88 0.472 . . . . 0.0 109.727 176.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.1 mt -61.52 -47.84 83.75 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-O 118.689 -0.672 . . . . 0.0 110.476 176.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -59.64 -42.23 92.27 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 120.008 1.277 . . . . 0.0 111.092 178.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.0 m -62.04 -37.32 84.5 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 121.018 0.437 . . . . 0.0 110.88 176.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -66.55 -35.43 80.2 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 117.396 -1.288 . . . . 0.0 110.827 174.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.9 t -61.38 -45.17 99.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-N 121.252 1.842 . . . . 0.0 109.735 170.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -59.02 -38.06 78.37 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.67 0.668 . . . . 0.0 110.502 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.68 -50.48 62.76 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.116 0.417 . . . . 0.0 112.032 171.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.3 t -62.22 -43.39 97.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 124.899 1.28 . . . . 0.0 110.996 -171.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -63.33 -18.25 63.43 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 119.014 0.825 . . . . 0.0 113.096 -176.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -66.08 -29.14 69.42 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 118.921 0.782 . . . . 0.0 111.842 173.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.01 -171.88 38.18 Favored Glycine 0 CA--C 1.534 1.227 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 -155.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 93.5 p -69.59 161.73 72.12 Favored Pre-proline 0 CA--C 1.539 0.529 0 O-C-N 120.936 -1.332 . . . . 0.0 108.167 160.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -47.66 -21.29 2.24 Favored 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 123.704 2.936 . . . . 0.0 115.095 162.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -98.13 -14.25 20.52 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.486 1.114 . . . . 0.0 112.107 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.6 m -73.46 169.95 16.13 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.902 0.858 . . . . 0.0 112.024 -178.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.8 ttmt -136.97 95.2 3.07 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 105.061 -2.2 . . . . 0.0 105.061 157.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.4 t -62.1 134.92 27.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 167.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 61.4 p -117.03 -21.17 9.02 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.824 0.85 . . . . 0.0 110.515 175.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -156.34 156.03 33.23 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.304 1.042 . . . . 0.0 109.236 171.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.6 tt -147.77 144.74 19.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 125.665 1.586 . . . . 0.0 107.623 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.0 m -138.18 147.43 43.82 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 125.841 1.656 . . . . 0.0 108.032 -174.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.7 t -135.62 145.33 31.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -173.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.7 m -131.46 114.16 14.59 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 104.523 -2.399 . . . . 0.0 104.523 170.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.64 146.56 46.5 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 167.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.1 m -145.48 160.47 41.55 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.801 0.841 . . . . 0.0 109.7 -171.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -146.91 29.13 1.0 Allowed 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.14 0.495 . . . . 0.0 110.278 165.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.4 m -83.39 62.65 6.86 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.106 1.762 . . . . 0.0 106.829 174.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.8 mt -54.98 148.85 12.72 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 124.543 1.137 . . . . 0.0 111.791 -162.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -121.47 -13.01 8.48 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 125.708 1.603 . . . . 0.0 111.355 -167.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 61.19 17.51 52.52 Favored Glycine 0 CA--C 1.53 1.02 0 C-N-CA 124.643 1.116 . . . . 0.0 113.538 169.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.61 149.85 48.11 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 117.663 0.731 . . . . 0.0 109.468 -178.083 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -127.21 26.47 6.04 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.542 1.537 . . . . 0.0 109.165 175.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -154.13 152.27 30.22 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 127.23 2.212 . . . . 0.0 107.546 -176.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -110.91 150.79 28.7 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 107.028 -1.471 . . . . 0.0 107.028 167.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.7 m -135.9 157.36 47.04 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -177.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 22.9 mt -103.57 137.56 31.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 N-CA-C 104.376 -2.453 . . . . 0.0 104.376 161.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 20.4 t -127.06 151.03 33.44 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 176.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -125.68 70.48 1.2 Allowed 'General case' 0 C--O 1.235 0.304 0 C-N-CA 123.876 0.871 . . . . 0.0 108.717 -162.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.249 1.071 0 C-N-CA 125.542 1.537 . . . . 0.0 110.538 174.424 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mmt . . . . . 0 N--CA 1.484 1.229 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 mt -147.84 -179.53 6.96 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 125.094 1.358 . . . . 0.0 108.88 176.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -147.3 150.61 35.13 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 126.503 1.921 . . . . 0.0 106.182 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -147.85 168.23 22.74 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 123.204 0.602 . . . . 0.0 111.118 172.237 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -128.71 140.4 51.76 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 106.126 -1.805 . . . . 0.0 106.126 163.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.9 mt -134.02 145.3 33.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 106.25 -1.759 . . . . 0.0 106.25 -173.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.7 mm -126.32 140.12 49.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 105.074 -2.195 . . . . 0.0 105.074 176.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.8 t -136.23 145.75 30.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 -170.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -141.72 150.91 42.43 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 125.382 1.473 . . . . 0.0 109.232 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 139.46 -158.88 25.63 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.108 -1.197 . . . . 0.0 110.108 -177.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -78.26 87.63 4.32 Favored 'General case' 0 C--O 1.231 0.118 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 163.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.3 m -128.99 17.74 2.65 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 C-N-CA 124.69 1.196 . . . . 0.0 110.41 -176.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -138.11 158.07 45.05 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 126.08 1.752 . . . . 0.0 107.403 169.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 63.69 27.52 71.17 Favored Glycine 0 CA--C 1.533 1.175 0 CA-C-O 119.199 -0.778 . . . . 0.0 112.065 -173.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.2 m -142.33 6.61 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 C-N-CA 126.057 1.743 . . . . 0.0 111.105 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.88 15.89 78.21 Favored Glycine 0 CA--C 1.532 1.118 0 O-C-N 121.462 -0.774 . . . . 0.0 113.858 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -59.31 -37.82 78.69 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 118.821 1.311 . . . . 0.0 112.891 -169.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 89.2 mtm-85 -63.69 -31.96 73.3 Favored 'General case' 0 N--CA 1.466 0.362 0 O-C-N 120.921 -1.112 . . . . 0.0 111.077 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -72.36 -38.16 68.62 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.911 0.778 . . . . 0.0 110.571 173.074 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -56.03 -51.28 68.35 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 119.184 0.902 . . . . 0.0 109.66 174.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.6 t -59.72 -43.37 91.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 124.153 0.981 . . . . 0.0 110.157 177.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 38.1 tp60 -56.34 -48.94 75.76 Favored 'General case' 0 C--N 1.34 0.171 0 CA-C-N 118.956 0.798 . . . . 0.0 110.467 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.1 mtt -72.41 -34.23 67.72 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.65 0.38 . . . . 0.0 110.31 -176.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -70.82 -24.52 62.57 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 118.549 -0.738 . . . . 0.0 112.494 176.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.41 -45.45 31.55 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 119.606 1.093 . . . . 0.0 110.018 168.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -61.76 -37.0 82.68 Favored 'General case' 0 N--CA 1.461 0.122 0 C-N-CA 123.811 0.844 . . . . 0.0 111.59 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.26 0.0 OUTLIER -69.37 -3.05 12.57 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 178.008 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -121.76 6.49 9.93 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.415 1.486 . . . . 0.0 111.308 168.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp 44.93 39.66 3.82 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.966 1.706 . . . . 0.0 112.088 -171.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 98.5 mt -68.25 165.13 19.09 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 170.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.91 149.1 52.69 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 123.805 0.842 . . . . 0.0 109.469 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 139.36 -153.36 22.91 Favored Glycine 0 CA--C 1.531 1.067 0 N-CA-C 111.835 -0.506 . . . . 0.0 111.835 -170.342 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 1.9 p90 -141.09 166.2 25.44 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.984 0.897 . . . . 0.0 112.906 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.5 p -127.4 143.73 39.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 159.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 55.0 pttt -149.18 150.87 33.36 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 122.707 0.403 . . . . 0.0 111.314 176.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 50.2 t30 . . . . . 0 CA--C 1.534 0.338 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 165.366 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.282 0 CA-C-O 121.437 0.637 . . . . 0.0 110.634 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.3 t -125.14 154.38 33.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 169.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -130.67 143.08 50.5 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.006 1.322 . . . . 0.0 108.187 -177.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -124.03 148.06 28.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 171.513 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.6 tt -145.97 126.27 13.95 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 105.198 -2.149 . . . . 0.0 105.198 171.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -143.18 161.32 38.55 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 118.879 0.763 . . . . 0.0 111.061 -173.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -140.43 144.01 35.91 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 127.671 2.389 . . . . 0.0 107.058 174.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 161.18 -168.7 36.54 Favored Glycine 0 CA--C 1.528 0.865 0 CA-C-O 119.555 -0.58 . . . . 0.0 112.224 174.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -54.71 133.39 56.96 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 123.547 2.832 . . . . 0.0 110.408 172.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 pm0 -65.5 -27.43 68.47 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -173.263 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -69.87 -42.38 73.55 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 119.265 0.939 . . . . 0.0 111.047 172.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.71 -39.81 91.59 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 122.83 0.452 . . . . 0.0 110.091 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.4 mt -62.21 -48.01 81.88 Favored 'General case' 0 C--O 1.222 -0.371 0 C-N-CA 123.483 0.713 . . . . 0.0 110.439 175.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -59.39 -42.46 91.76 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 119.757 1.162 . . . . 0.0 110.656 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.8 m -61.34 -36.24 79.63 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 122.788 0.435 . . . . 0.0 111.007 175.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -69.52 -33.56 73.0 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 117.493 -1.241 . . . . 0.0 111.264 175.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.2 t -61.96 -42.62 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 121.17 1.805 . . . . 0.0 109.087 169.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -60.66 -38.27 84.32 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.125 0.875 . . . . 0.0 110.689 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.03 -50.52 65.9 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.286 0.494 . . . . 0.0 111.675 172.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.2 t -61.81 -46.86 95.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 C-N-CA 123.948 0.899 . . . . 0.0 110.156 -175.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -67.17 -21.16 65.81 Favored 'General case' 0 CA--C 1.53 0.212 0 CA-C-N 118.794 0.725 . . . . 0.0 112.297 -173.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -67.47 -29.11 68.48 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.698 0.681 . . . . 0.0 111.18 172.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.59 -178.67 35.07 Favored Glycine 0 CA--C 1.531 1.076 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 -156.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.9 157.67 74.33 Favored Pre-proline 0 CA--C 1.539 0.553 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 156.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 99.1 Cg_exo -46.66 -33.67 13.94 Favored 'Trans proline' 0 CA--C 1.543 0.951 0 C-N-CA 123.201 2.601 . . . . 0.0 113.992 164.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -74.15 -29.47 61.81 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.24 1.016 . . . . 0.0 112.826 176.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.5 m -78.4 176.46 9.33 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.734 1.614 . . . . 0.0 111.106 -176.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.5 pttt -144.12 114.55 7.55 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 154.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 99.9 t -69.93 136.52 25.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 164.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.4 p -119.13 -18.61 8.66 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.849 0.86 . . . . 0.0 110.741 175.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -155.04 151.89 28.95 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 124.347 1.059 . . . . 0.0 109.115 170.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.4 tt -150.4 147.88 15.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 125.289 1.436 . . . . 0.0 108.111 -178.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 57.3 m -138.75 144.89 39.66 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 126.098 1.759 . . . . 0.0 107.83 -176.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.3 t -136.63 144.72 31.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 C-N-CA 124.367 1.067 . . . . 0.0 108.416 -173.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.2 m -137.29 116.33 12.45 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 105.364 -2.087 . . . . 0.0 105.364 169.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -70.19 156.05 39.77 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 166.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.1 m -141.81 156.55 45.55 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 125.263 1.425 . . . . 0.0 108.062 -178.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -140.26 40.01 1.92 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.242 1.017 . . . . 0.0 108.433 -176.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.5 m -138.23 65.49 1.47 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 127.179 2.192 . . . . 0.0 106.199 -171.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 66.7 mt -49.12 148.57 2.36 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 127.048 2.139 . . . . 0.0 114.725 -155.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -72.96 -34.73 66.68 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.951 1.3 . . . . 0.0 109.995 171.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.43 18.24 49.97 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 124.238 0.923 . . . . 0.0 113.189 -174.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -72.92 166.52 22.87 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.323 1.049 . . . . 0.0 110.444 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 34.7 p80 -127.68 3.76 6.11 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.48 1.112 . . . . 0.0 112.423 -175.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -148.09 165.27 31.32 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 124.796 1.239 . . . . 0.0 108.966 176.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -97.57 153.2 18.33 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 166.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.0 m -141.14 159.02 43.11 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 118.543 0.61 . . . . 0.0 112.02 -176.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 28.1 mt -103.38 130.76 53.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 N-CA-C 104.463 -2.421 . . . . 0.0 104.463 166.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 80.0 t . . . . . 0 CA--C 1.538 0.49 0 C-N-CA 125.315 1.446 . . . . 0.0 107.567 -169.932 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.7 mmt . . . . . 0 N--CA 1.486 1.346 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 48.5 tp -139.17 170.9 15.12 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.812 1.645 . . . . 0.0 108.113 -177.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -148.34 148.92 30.93 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 126.542 1.937 . . . . 0.0 107.05 -174.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -145.91 166.64 25.39 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 123.057 0.543 . . . . 0.0 111.016 166.453 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.9 ttm-85 -120.2 140.1 51.66 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 163.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 52.4 mt -133.41 139.51 48.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 -179.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.8 mm -115.44 142.77 27.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 N-CA-C 105.358 -2.09 . . . . 0.0 105.358 172.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.7 t -138.03 138.64 43.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 107.009 -1.478 . . . . 0.0 107.009 -175.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -140.73 154.07 46.17 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 124.804 1.242 . . . . 0.0 109.457 -176.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.82 -158.41 23.81 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 109.217 -1.553 . . . . 0.0 109.217 -172.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -75.09 79.79 2.25 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 163.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.9 m -130.15 2.58 2.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 124.392 1.077 . . . . 0.0 111.363 -177.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -133.85 162.82 30.97 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 165.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 71.58 12.08 73.31 Favored Glycine 0 CA--C 1.538 1.515 0 N-CA-C 111.703 -0.559 . . . . 0.0 111.703 -161.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.4 m -145.67 160.13 12.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 128.217 2.607 . . . . 0.0 106.154 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.02 20.91 2.29 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 124.041 0.829 . . . . 0.0 114.67 -170.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -59.27 -34.02 71.75 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.856 1.328 . . . . 0.0 112.487 -172.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -47.6 64.69 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.165 0.586 . . . . 0.0 110.041 175.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -71.81 -39.85 69.55 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 118.657 -0.687 . . . . 0.0 110.216 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -56.02 -50.98 69.38 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-N 118.856 0.753 . . . . 0.0 110.432 178.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.8 t -58.07 -47.76 86.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 123.647 0.779 . . . . 0.0 109.62 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -58.72 -46.92 86.27 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.805 0.729 . . . . 0.0 111.08 178.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 66.4 mtt -70.9 -33.46 70.58 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.804 -0.56 . . . . 0.0 110.793 -173.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -68.26 -37.2 80.49 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.447 0.567 . . . . 0.0 110.799 173.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.01 -42.53 94.35 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.899 0.772 . . . . 0.0 110.523 173.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -66.22 -42.07 89.22 Favored 'General case' 0 C--O 1.228 -0.055 0 C-N-CA 123.763 0.825 . . . . 0.0 111.615 -177.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.06 -25.25 65.26 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 119.931 1.241 . . . . 0.0 111.712 176.608 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -83.64 -1.63 54.38 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.823 0.738 . . . . 0.0 112.469 168.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt 43.87 41.93 4.17 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 126.951 2.1 . . . . 0.0 112.915 -172.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.1 mt -74.92 168.97 18.89 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 163.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.59 148.8 52.43 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.276 1.03 . . . . 0.0 108.239 173.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 160.58 -156.13 27.39 Favored Glycine 0 CA--C 1.527 0.793 0 CA-C-N 118.431 0.56 . . . . 0.0 114.076 -169.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 1.6 p90 -142.81 166.97 23.2 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 124.149 0.98 . . . . 0.0 111.05 169.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.7 p -135.99 137.94 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 168.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -149.61 159.72 44.09 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 113.129 0.788 . . . . 0.0 113.129 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.6 t30 . . . . . 0 C--O 1.232 0.142 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 155.934 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? . . . . . 0 C--O 1.233 0.211 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 80.8 t -97.94 148.0 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 106.145 -1.798 . . . . 0.0 106.145 164.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -134.64 137.0 43.28 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 125.964 1.706 . . . . 0.0 106.99 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.0 mt -131.33 142.73 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 N-CA-C 104.439 -2.43 . . . . 0.0 104.439 -175.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.7 tt -142.54 122.49 13.6 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 105.149 -2.167 . . . . 0.0 105.149 175.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -143.59 158.03 43.97 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 118.31 0.504 . . . . 0.0 110.343 -174.144 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -138.27 155.62 48.44 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 126.067 1.747 . . . . 0.0 109.621 173.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 159.3 -167.84 35.11 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 124.427 1.013 . . . . 0.0 110.66 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.32 149.35 63.2 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 122.133 1.888 . . . . 0.0 110.209 174.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -58.02 -42.91 86.31 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.862 0.865 . . . . 0.0 111.689 -170.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -68.59 -37.91 80.23 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 118.73 0.696 . . . . 0.0 111.907 -176.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.91 -40.9 91.92 Favored 'General case' 0 C--N 1.338 0.078 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 175.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.0 mt -62.14 -42.45 99.26 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 118.378 -0.82 . . . . 0.0 110.581 175.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -62.39 -46.21 89.64 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.896 1.225 . . . . 0.0 110.031 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.1 m -57.58 -37.83 73.85 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.626 0.77 . . . . 0.0 110.606 176.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -70.35 -34.35 72.52 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 117.532 -1.223 . . . . 0.0 111.593 176.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.2 t -63.25 -41.32 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-N 121.381 1.901 . . . . 0.0 109.566 170.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -59.42 -39.74 84.47 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.253 0.933 . . . . 0.0 110.308 178.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.84 -49.43 70.63 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 122.589 0.356 . . . . 0.0 111.288 174.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 48.5 t -63.55 -46.11 95.87 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 123.513 0.725 . . . . 0.0 110.34 -175.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -67.6 -17.19 64.54 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.897 0.771 . . . . 0.0 112.684 -176.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -68.66 -27.4 65.95 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.025 0.829 . . . . 0.0 111.223 171.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.34 175.36 12.58 Favored Glycine 0 CA--C 1.532 1.121 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 -155.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 83.0 p -70.63 160.68 80.88 Favored Pre-proline 0 C--O 1.237 0.437 0 C-N-CA 118.419 -1.313 . . . . 0.0 108.175 161.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -49.8 -3.27 0.05 OUTLIER 'Trans proline' 0 CA--C 1.546 1.111 0 C-N-CA 124.478 3.452 . . . . 0.0 116.058 160.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -125.85 9.88 7.62 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.965 1.706 . . . . 0.0 111.34 -177.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.1 m -130.36 171.42 12.96 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.914 1.285 . . . . 0.0 110.178 -177.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -142.09 90.1 2.23 Favored 'General case' 0 CA--C 1.523 -0.084 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 174.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.2 p -59.69 136.13 23.6 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 161.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.4 p -121.91 -14.96 7.96 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.519 1.127 . . . . 0.0 110.775 175.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -152.93 145.24 23.98 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.414 1.086 . . . . 0.0 109.454 174.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 11.2 tt -144.37 143.71 23.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 125.669 1.588 . . . . 0.0 107.603 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 64.5 m -140.75 130.99 24.96 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 125.133 1.373 . . . . 0.0 107.843 -176.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.2 p -128.67 145.67 35.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 C-N-CA 124.886 1.274 . . . . 0.0 110.852 -173.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.0 m -138.02 115.94 11.58 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 105.703 -1.962 . . . . 0.0 105.703 174.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -67.13 162.82 21.53 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.791 0.805 . . . . 0.0 109.102 167.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.7 m -152.88 162.77 40.88 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 124.722 1.209 . . . . 0.0 108.36 174.202 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -139.78 35.07 1.98 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.147 0.979 . . . . 0.0 108.927 -171.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.3 m -136.62 62.4 1.61 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.772 2.029 . . . . 0.0 106.356 -172.165 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.4 mp -54.78 154.65 4.9 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.989 1.716 . . . . 0.0 113.659 -160.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -69.92 -39.99 75.82 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.071 1.349 . . . . 0.0 109.657 176.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.45 37.3 94.58 Favored Glycine 0 CA--C 1.534 1.227 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 -166.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.98 167.08 22.44 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.021 1.328 . . . . 0.0 109.341 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -141.35 23.43 2.16 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.846 0.858 . . . . 0.0 110.618 -178.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -159.93 172.32 17.79 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 125.886 1.674 . . . . 0.0 107.995 -173.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -122.97 133.37 54.38 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 164.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.0 m -122.19 160.46 25.12 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.541 0.736 . . . . 0.0 111.343 -167.186 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 10.9 mt -118.47 135.82 57.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 106.824 -1.547 . . . . 0.0 106.824 175.307 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.688 0 C-N-CA 124.016 0.926 . . . . 0.0 109.748 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 mmt . . . . . 0 N--CA 1.486 1.349 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.4 mt -134.76 177.92 7.41 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 125.428 1.491 . . . . 0.0 107.956 173.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -142.94 151.53 41.05 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.498 1.519 . . . . 0.0 108.098 177.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -143.07 167.23 22.57 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.103 0.477 . . . . 0.0 110.821 163.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -129.05 134.24 48.03 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 105.375 -2.083 . . . . 0.0 105.375 169.149 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.9 mt -131.79 137.02 55.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 106.055 -1.832 . . . . 0.0 106.055 -172.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.2 mm -112.12 141.34 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 105.203 -2.147 . . . . 0.0 105.203 174.155 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.6 t -134.96 134.68 53.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 106.492 -1.67 . . . . 0.0 106.492 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -132.09 149.64 52.36 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 125.271 1.428 . . . . 0.0 108.438 -173.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 137.03 -159.54 24.66 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 110.441 -1.063 . . . . 0.0 110.441 -178.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.6 ttt-85 -75.86 75.75 2.79 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 107.085 -1.45 . . . . 0.0 107.085 168.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.5 m -130.05 5.43 2.31 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 125.224 1.41 . . . . 0.0 110.776 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -136.22 150.9 49.18 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 106.241 -1.763 . . . . 0.0 106.241 174.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.99 1.83 63.88 Favored Glycine 0 CA--C 1.539 1.585 0 N-CA-C 111.969 -0.452 . . . . 0.0 111.969 -156.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.8 m -142.82 154.06 17.39 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 C-N-CA 128.123 2.569 . . . . 0.0 106.087 175.027 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.96 35.3 2.74 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-O 118.99 -0.894 . . . . 0.0 114.767 -161.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -55.94 -35.41 66.62 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 119.203 1.502 . . . . 0.0 112.693 -174.155 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.2 mtm-85 -56.31 -39.2 72.37 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.349 -0.844 . . . . 0.0 111.329 176.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -71.14 -39.55 71.91 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 118.94 0.791 . . . . 0.0 110.585 178.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -56.76 -52.34 65.38 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.786 0.721 . . . . 0.0 109.596 175.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.1 t -61.28 -40.13 84.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 123.242 0.617 . . . . 0.0 110.159 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.7 tp60 -55.88 -50.11 71.53 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-N 118.998 0.817 . . . . 0.0 110.405 178.23 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 77.1 mtm -71.45 -36.81 71.36 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 119.461 -0.304 . . . . 0.0 110.594 -175.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -67.19 -32.45 73.53 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 118.454 0.57 . . . . 0.0 111.741 177.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.87 -43.21 65.83 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.918 0.781 . . . . 0.0 110.623 173.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -65.32 -44.68 87.04 Favored 'General case' 0 C--O 1.231 0.102 0 C-N-CA 123.769 0.828 . . . . 0.0 111.423 -175.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -18.59 64.18 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 118.571 0.623 . . . . 0.0 112.307 175.434 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 tpt85 -103.02 7.44 39.04 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.42 1.088 . . . . 0.0 111.383 176.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.6 mttm 47.77 34.37 3.78 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.906 2.082 . . . . 0.0 112.985 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.1 mt -75.3 165.75 24.68 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 172.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.64 146.52 50.98 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.046 0.938 . . . . 0.0 109.006 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 141.55 -154.11 24.5 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-N 118.177 0.444 . . . . 0.0 112.103 -167.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 3.1 p90 -137.51 162.47 33.63 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 117.83 0.815 . . . . 0.0 112.741 -178.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.6 p -132.65 142.72 41.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 156.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -161.7 171.63 17.6 Favored 'General case' 0 C--N 1.335 -0.056 0 C-N-CA 123.198 0.599 . . . . 0.0 112.276 -172.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 . . . . . 0 CA--C 1.538 0.498 0 C-N-CA 123.46 0.704 . . . . 0.0 109.748 162.152 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.8 mmt180 . . . . . 0 N--CA 1.47 0.55 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.3 t -102.97 148.51 8.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 105.521 -2.029 . . . . 0.0 105.521 164.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -131.58 138.98 49.07 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 177.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.8 mt -128.65 143.38 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 N-CA-C 104.462 -2.422 . . . . 0.0 104.462 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.4 tt -144.63 127.7 16.57 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 105.164 -2.161 . . . . 0.0 105.164 175.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -141.91 147.24 36.76 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 118.373 0.533 . . . . 0.0 110.035 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -116.52 153.56 31.95 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 125.556 1.542 . . . . 0.0 108.599 164.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 161.1 -171.62 37.18 Favored Glycine 0 CA--C 1.528 0.898 0 CA-C-O 119.677 -0.513 . . . . 0.0 112.768 176.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -57.48 149.14 68.21 Favored 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 123.911 3.074 . . . . 0.0 111.616 171.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -59.48 -45.56 91.32 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.162 0.585 . . . . 0.0 110.923 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -65.08 -40.59 94.84 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 118.387 0.539 . . . . 0.0 111.228 -177.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.58 -46.54 85.4 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 123.042 0.537 . . . . 0.0 110.231 176.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.5 mt -62.01 -45.74 92.27 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.53 0.732 . . . . 0.0 110.662 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -60.7 -45.76 92.97 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.118 0.872 . . . . 0.0 110.485 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.8 m -57.87 -39.17 77.17 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 120.899 0.38 . . . . 0.0 110.508 176.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -70.01 -32.57 70.81 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 117.424 -1.274 . . . . 0.0 111.396 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.5 t -62.51 -44.66 99.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 121.289 1.859 . . . . 0.0 109.545 168.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -59.07 -37.98 78.36 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 119.104 0.866 . . . . 0.0 110.515 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.17 -51.26 59.53 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.034 0.534 . . . . 0.0 111.367 173.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.6 t -63.81 -44.22 98.13 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 C-N-CA 124.069 0.948 . . . . 0.0 110.642 -173.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 44.1 pttt -66.99 -19.04 65.65 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.95 0.796 . . . . 0.0 112.657 -174.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -68.45 -28.32 66.95 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.712 0.687 . . . . 0.0 111.257 172.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.45 172.57 11.5 Favored Glycine 0 CA--C 1.533 1.172 0 N-CA-C 110.245 -1.142 . . . . 0.0 110.245 -158.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 27.3 t -65.2 144.85 99.12 Favored Pre-proline 0 CA--C 1.534 0.345 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 161.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -48.59 -27.44 10.63 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 123.494 2.796 . . . . 0.0 114.138 165.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -89.87 -0.37 57.52 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.277 1.031 . . . . 0.0 112.663 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.9 m -125.77 176.38 6.96 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.233 1.813 . . . . 0.0 109.514 -174.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.9 ttmt -144.69 95.72 2.75 Favored 'General case' 0 N--CA 1.461 0.125 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 175.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.3 p -59.74 137.43 22.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 162.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 54.0 p -120.2 -18.57 7.99 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.388 1.075 . . . . 0.0 110.867 174.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -154.42 150.92 28.39 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 124.227 1.011 . . . . 0.0 109.543 173.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.8 tt -146.31 146.01 19.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 125.776 1.63 . . . . 0.0 108.295 -176.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.3 m -139.74 149.15 43.25 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 125.752 1.621 . . . . 0.0 108.448 -176.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 50.2 t -139.96 145.06 27.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 C-N-CA 124.208 1.003 . . . . 0.0 109.073 -171.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.5 m -137.96 140.82 40.44 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 106.077 -1.823 . . . . 0.0 106.077 166.165 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -126.57 158.54 35.98 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.074 0.949 . . . . 0.0 110.883 -175.067 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.1 t -159.55 175.3 13.41 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.814 1.246 . . . . 0.0 110.237 -174.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -124.97 1.29 8.0 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.784 1.633 . . . . 0.0 110.006 169.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.1 m -80.6 134.96 35.98 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 105.651 -1.981 . . . . 0.0 105.651 163.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.5 mt -118.57 170.04 9.29 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 -165.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -95.25 -5.2 44.26 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.671 0.788 . . . . 0.0 111.515 -175.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 61.91 20.45 59.98 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 124.685 1.136 . . . . 0.0 112.188 -174.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -77.03 158.45 30.55 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.21 1.005 . . . . 0.0 110.104 -177.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 35.5 p80 -131.69 2.61 4.1 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.657 1.183 . . . . 0.0 112.061 -178.431 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -148.21 167.06 26.08 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 125.806 1.642 . . . . 0.0 108.017 174.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -95.56 150.69 20.06 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 166.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.5 m -140.83 158.81 43.42 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 118.33 0.514 . . . . 0.0 111.688 -175.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 36.4 mt -103.03 133.76 45.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 N-CA-C 105.025 -2.213 . . . . 0.0 105.025 167.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.9 t . . . . . 0 CA--C 1.543 0.711 0 N-CA-C 106.535 -1.654 . . . . 0.0 106.535 -179.709 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 81.0 mmm . . . . . 0 N--CA 1.481 1.105 0 CA-C-O 121.141 0.496 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 51.1 tp -145.67 169.85 17.65 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 126.322 1.849 . . . . 0.0 107.235 -178.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -146.4 148.65 32.54 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.689 1.196 . . . . 0.0 107.81 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -141.56 168.17 20.41 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.399 0.619 . . . . 0.0 111.142 171.2 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 -129.04 137.0 51.05 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 105.039 -2.208 . . . . 0.0 105.039 164.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.7 mt -130.98 140.94 47.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 106.271 -1.751 . . . . 0.0 106.271 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 23.6 mm -118.28 140.51 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 105.092 -2.188 . . . . 0.0 105.092 176.08 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.1 t -134.23 141.31 44.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 -174.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.415 ' CG ' ' HE ' ' A' ' 41' ' ' ARG . 21.4 t0 -136.38 150.72 48.94 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 126.283 1.833 . . . . 0.0 108.657 -175.068 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.68 -159.64 23.52 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 124.849 1.214 . . . . 0.0 110.153 -177.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 59.2 ttp85 -78.58 79.23 5.01 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 168.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 36.0 m -130.05 6.46 2.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 C-N-CA 125.014 1.325 . . . . 0.0 111.346 -174.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -131.66 162.55 30.14 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 169.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.86 -54.72 4.19 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 -162.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.3 m -63.63 147.27 12.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 159.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.76 37.68 2.66 Favored Glycine 0 CA--C 1.528 0.861 0 C-N-CA 124.548 1.07 . . . . 0.0 113.659 -170.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -56.02 -33.95 65.4 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 118.577 1.188 . . . . 0.0 112.92 -173.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.3 mtm-85 -57.94 -38.66 76.37 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 120.966 -1.084 . . . . 0.0 111.277 175.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -71.39 -38.57 71.49 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.665 0.666 . . . . 0.0 110.511 176.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -57.31 -51.7 68.33 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.895 0.77 . . . . 0.0 109.676 175.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.6 t -59.83 -40.75 83.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 C-N-CA 123.741 0.816 . . . . 0.0 110.076 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.77 -49.13 76.2 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 119.239 0.927 . . . . 0.0 110.803 178.447 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.4 mtt -71.51 -37.67 71.19 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 122.468 0.307 . . . . 0.0 110.248 -175.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -68.25 -30.54 69.6 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 119.152 -0.451 . . . . 0.0 111.691 178.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.98 -44.24 63.83 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 118.734 0.697 . . . . 0.0 110.429 172.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -65.06 -44.95 87.33 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 123.862 0.865 . . . . 0.0 111.323 -174.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.31 -15.73 58.18 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 175.555 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.0 tpt85 -109.02 9.2 26.44 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.817 1.247 . . . . 0.0 111.176 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.5 mttt 47.92 34.55 4.13 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.829 2.051 . . . . 0.0 113.14 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.6 mt -76.29 168.22 20.44 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 121.835 -0.541 . . . . 0.0 109.755 173.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -139.11 153.05 47.95 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.448 1.099 . . . . 0.0 109.082 176.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 138.55 -150.35 21.04 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -168.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 14.3 p90 -143.45 165.65 26.95 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 118.366 1.083 . . . . 0.0 112.832 176.38 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.2 p -129.58 144.69 37.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 159.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -152.5 159.6 43.31 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 121.191 0.52 . . . . 0.0 112.375 -175.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.7 t30 . . . . . 0 C--O 1.235 0.314 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 161.043 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.415 ' HE ' ' CG ' ' A' ' 9' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--O 1.234 0.243 0 CA-C-O 121.384 0.612 . . . . 0.0 109.75 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.9 t -112.28 142.14 25.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 169.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -116.51 139.28 50.65 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 106.484 -1.673 . . . . 0.0 106.484 173.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.2 mt -127.73 140.9 47.88 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 N-CA-C 104.401 -2.444 . . . . 0.0 104.401 176.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.9 tt -145.47 122.6 11.46 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 105.345 -2.094 . . . . 0.0 105.345 178.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -143.99 150.82 38.87 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 118.459 0.572 . . . . 0.0 110.657 -173.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -121.26 152.2 39.15 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 125.65 1.58 . . . . 0.0 108.736 167.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 165.77 -176.52 41.21 Favored Glycine 0 CA--C 1.526 0.752 0 CA-C-O 119.856 -0.413 . . . . 0.0 112.257 176.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -54.94 144.93 65.31 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 123.381 2.721 . . . . 0.0 111.271 167.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -58.28 -38.04 76.21 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.491 0.717 . . . . 0.0 111.504 -178.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -68.37 -44.83 74.31 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 121.548 -0.72 . . . . 0.0 110.706 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.02 -44.82 94.35 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 123.235 0.614 . . . . 0.0 110.413 177.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 55.1 mt -63.62 -40.89 98.06 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 118.432 -0.794 . . . . 0.0 110.828 177.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -61.63 -45.31 94.63 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 120.262 1.392 . . . . 0.0 111.287 177.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.6 m -56.77 -38.18 72.12 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 118.549 0.613 . . . . 0.0 110.862 173.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -69.54 -34.46 74.26 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 117.444 -1.265 . . . . 0.0 111.437 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.0 t -62.73 -44.94 99.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 121.104 1.775 . . . . 0.0 108.87 170.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.02 -35.97 76.22 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.779 0.718 . . . . 0.0 111.154 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.44 -51.11 55.42 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.134 0.574 . . . . 0.0 111.123 173.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.9 t -63.77 -44.5 98.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 124.215 1.006 . . . . 0.0 110.808 -173.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -64.59 -21.26 66.66 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.94 0.791 . . . . 0.0 112.554 -174.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -69.85 -27.19 64.64 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 118.344 0.52 . . . . 0.0 111.824 174.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.74 -174.87 38.76 Favored Glycine 0 CA--C 1.533 1.162 0 N-CA-C 109.415 -1.474 . . . . 0.0 109.415 -155.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.76 156.47 83.11 Favored Pre-proline 0 CA--C 1.54 0.59 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 157.637 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -47.33 -34.19 18.19 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 123.145 2.563 . . . . 0.0 113.803 167.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -77.21 -25.52 51.78 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.058 0.943 . . . . 0.0 113.179 178.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.1 m -78.38 177.24 8.63 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.195 1.398 . . . . 0.0 111.806 -174.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -141.09 101.2 3.98 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 164.46 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.0 t -64.54 135.83 27.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 N-CA-C 106.71 -1.589 . . . . 0.0 106.71 163.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 77.2 p -117.89 -21.28 8.44 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.707 0.803 . . . . 0.0 110.73 172.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -155.26 153.99 31.47 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 124.115 0.966 . . . . 0.0 109.379 172.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.0 tt -149.45 144.96 17.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 C-N-CA 125.8 1.64 . . . . 0.0 107.821 -176.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 42.8 m -139.07 151.69 46.95 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.5 1.52 . . . . 0.0 108.455 -176.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.1 t -138.12 146.18 27.43 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 C-N-CA 123.931 0.892 . . . . 0.0 109.1 -168.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -135.06 144.04 47.02 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 127.186 2.195 . . . . 0.0 105.125 172.367 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -130.76 143.39 50.71 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 119.737 1.153 . . . . 0.0 108.888 -177.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.0 m -151.23 170.05 20.44 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.938 1.295 . . . . 0.0 109.801 -165.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -135.48 32.38 3.07 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.679 1.192 . . . . 0.0 108.333 176.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.3 m -118.8 55.67 0.92 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.772 1.629 . . . . 0.0 107.996 -159.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.1 mp -44.31 139.96 2.44 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 127.465 2.306 . . . . 0.0 112.702 -164.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -73.65 -37.74 65.2 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.806 1.242 . . . . 0.0 109.75 175.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 59.31 37.43 91.89 Favored Glycine 0 CA--C 1.534 1.243 0 N-CA-C 110.621 -0.992 . . . . 0.0 110.621 -164.046 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -68.61 146.79 52.73 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.119 0.968 . . . . 0.0 109.479 -174.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -70.55 -27.76 64.4 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -174.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -159.53 177.69 10.67 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 126.198 1.799 . . . . 0.0 108.216 -175.088 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -85.15 140.82 30.64 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 159.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.5 m -132.97 161.75 33.49 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 119.272 0.942 . . . . 0.0 111.679 -172.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.2 mt -105.38 134.37 47.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 104.711 -2.329 . . . . 0.0 104.711 165.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 58.8 t . . . . . 0 CA--C 1.536 0.417 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 -174.17 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 mmt . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 39.6 tp -148.62 166.36 28.55 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 125.626 1.57 . . . . 0.0 108.065 -178.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -134.85 148.54 50.17 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 125.343 1.457 . . . . 0.0 107.942 175.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -138.71 169.94 16.89 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.344 0.592 . . . . 0.0 110.821 167.646 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -129.89 138.69 51.07 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 105.887 -1.894 . . . . 0.0 105.887 164.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.8 mt -132.98 142.75 41.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 107.1 -1.444 . . . . 0.0 107.1 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.7 mm -114.31 143.71 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 173.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.5 t -136.72 135.63 48.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -125.14 155.14 40.39 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 126.428 1.891 . . . . 0.0 109.11 178.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.2 -157.37 22.85 Favored Glycine 0 CA--C 1.525 0.69 0 C-N-CA 125.111 1.338 . . . . 0.0 111.149 176.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.4 ttt85 -72.08 79.55 0.94 Allowed 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 160.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.2 m -136.0 8.11 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 C-N-CA 123.667 0.787 . . . . 0.0 111.7 -172.023 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -141.65 166.0 25.94 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 165.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.37 -50.89 4.1 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 -166.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.1 m -59.64 150.25 6.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 153.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.96 34.11 1.69 Allowed Glycine 0 CA--C 1.529 0.963 0 C-N-CA 124.381 0.991 . . . . 0.0 113.201 -175.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -61.88 -33.89 75.02 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.406 1.103 . . . . 0.0 111.881 -172.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 79.9 mtm-85 -59.85 -38.06 81.05 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 120.07 1.304 . . . . 0.0 110.812 177.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -69.56 -39.27 77.49 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.052 0.541 . . . . 0.0 110.492 175.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -57.62 -52.63 64.64 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.582 0.628 . . . . 0.0 109.86 175.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.0 t -58.14 -42.95 84.44 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 124.163 0.985 . . . . 0.0 109.784 177.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 49.2 tp60 -55.83 -50.42 70.59 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 118.558 0.617 . . . . 0.0 110.813 179.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.5 mmt -79.44 -29.35 41.8 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 119.391 -0.338 . . . . 0.0 111.219 -171.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -67.42 -39.91 85.51 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 118.643 0.656 . . . . 0.0 110.46 172.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.92 -42.82 97.28 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 119.105 0.866 . . . . 0.0 110.296 174.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -62.66 -45.77 91.29 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.151 0.58 . . . . 0.0 111.605 -178.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -26.33 64.76 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 119.205 0.911 . . . . 0.0 111.842 177.451 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -81.77 4.82 20.65 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.408 0.683 . . . . 0.0 112.297 169.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.6 mttt 50.04 32.86 6.15 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 126.635 1.974 . . . . 0.0 112.774 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.5 mt -78.52 165.66 23.48 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 123.804 0.842 . . . . 0.0 109.496 175.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -131.57 152.43 50.79 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.454 1.101 . . . . 0.0 108.765 174.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 137.21 -148.21 19.66 Favored Glycine 0 CA--C 1.529 0.966 0 CA-C-N 118.465 0.575 . . . . 0.0 111.769 -169.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 3.0 p90 -145.4 166.91 24.23 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -178.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 p -132.84 146.47 32.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 C-N-CA 125.326 1.45 . . . . 0.0 107.282 158.002 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.7 pttt -151.99 162.64 40.76 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 123.571 0.748 . . . . 0.0 111.815 177.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.2 t30 . . . . . 0 CA--C 1.532 0.26 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 157.18 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.235 0 CA-C-O 121.203 0.525 . . . . 0.0 109.868 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 66.6 t -99.41 143.1 13.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 106.138 -1.801 . . . . 0.0 106.138 166.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -122.94 135.39 54.47 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 170.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 24.1 mt -128.93 142.93 42.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 104.685 -2.339 . . . . 0.0 104.685 -174.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.2 tt -146.8 123.85 11.42 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 106.004 -1.851 . . . . 0.0 106.004 177.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.13 147.56 33.88 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 118.592 0.633 . . . . 0.0 111.031 -172.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -128.09 155.52 44.26 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 126.168 1.787 . . . . 0.0 109.556 173.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 154.63 -165.97 32.17 Favored Glycine 0 CA--C 1.53 0.97 0 CA-C-O 119.512 -0.605 . . . . 0.0 111.7 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.58 131.53 43.01 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 123.544 2.83 . . . . 0.0 111.008 172.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -56.89 -28.61 62.1 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.925 0.89 . . . . 0.0 113.4 -177.04 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -69.97 -34.82 73.87 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 120.902 -1.123 . . . . 0.0 111.813 173.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.44 -36.43 63.39 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.2 mp -59.51 -51.53 69.46 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-O 118.477 -0.773 . . . . 0.0 110.315 171.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -58.06 -45.23 87.42 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 119.903 1.228 . . . . 0.0 110.944 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.6 m -60.01 -37.75 80.61 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.027 0.441 . . . . 0.0 111.219 176.102 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -69.28 -31.24 69.61 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 117.188 -1.387 . . . . 0.0 111.236 175.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.9 t -62.68 -44.7 99.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-N 121.666 2.03 . . . . 0.0 108.747 169.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -58.35 -39.75 80.36 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.089 0.859 . . . . 0.0 110.364 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.57 -49.11 70.06 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 174.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.7 t -67.87 -47.34 79.7 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 C-N-CA 124.327 1.051 . . . . 0.0 110.558 -172.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -63.22 -26.24 68.7 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.772 0.715 . . . . 0.0 111.444 -174.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -65.19 -28.74 69.6 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.377 0.671 . . . . 0.0 111.667 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.43 -178.31 38.65 Favored Glycine 0 CA--C 1.528 0.888 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 -156.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 54.5 p -68.56 160.9 74.35 Favored Pre-proline 0 CA--C 1.538 0.505 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 160.055 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_exo -46.98 -19.23 0.74 Allowed 'Trans proline' 0 CA--C 1.543 0.974 0 C-N-CA 123.839 3.026 . . . . 0.0 115.554 161.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -97.98 -16.63 19.59 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.322 1.049 . . . . 0.0 112.228 179.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.7 m -79.36 173.99 12.02 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.159 1.384 . . . . 0.0 111.601 -177.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -140.09 94.99 2.82 Favored 'General case' 0 C--O 1.231 0.087 0 N-CA-C 106.027 -1.842 . . . . 0.0 106.027 158.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.3 t -62.07 137.17 24.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 167.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.6 p -117.14 -22.62 8.27 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.354 0.661 . . . . 0.0 110.89 175.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -159.3 149.89 19.47 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.253 1.021 . . . . 0.0 109.747 175.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 7.9 pt -131.47 159.52 43.0 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 C-N-CA 125.011 1.324 . . . . 0.0 109.025 171.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.9 m -140.73 156.01 46.3 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 125.214 1.405 . . . . 0.0 108.004 173.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 37.2 t -140.8 146.2 24.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-N 118.708 0.685 . . . . 0.0 109.597 -168.01 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.7 143.37 50.7 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 105.062 -2.199 . . . . 0.0 105.062 166.647 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -135.22 139.91 44.86 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 119.953 1.252 . . . . 0.0 108.258 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 70.9 m -149.81 137.25 19.9 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.089 0.956 . . . . 0.0 108.904 -173.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.4 ttp180 -86.67 52.87 2.63 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 169.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.5 m -138.91 103.8 4.9 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 -168.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.8 mp -73.78 149.57 41.64 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.569 0.748 . . . . 0.0 110.001 -173.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -87.6 -16.66 33.9 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.151 1.381 . . . . 0.0 111.021 170.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.33 25.86 63.24 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.688 1.137 . . . . 0.0 113.182 179.007 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -73.67 167.15 21.96 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.121 0.961 . . . . 0.0 109.668 175.578 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -128.13 12.01 6.56 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.512 1.125 . . . . 0.0 111.2 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -150.62 165.73 32.47 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 125.703 1.601 . . . . 0.0 107.908 176.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -92.38 153.97 18.83 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 154.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.1 m -133.27 149.73 51.94 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.411 0.684 . . . . 0.0 110.633 -171.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 33.2 mt -100.97 132.08 47.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 N-CA-C 103.712 -2.699 . . . . 0.0 103.712 157.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.3 p . . . . . 0 CA--C 1.538 0.482 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 -176.253 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 mmt . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.814 0.34 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 43.9 tp -137.73 172.92 12.24 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.741 1.616 . . . . 0.0 107.641 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -148.36 151.68 35.74 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 125.579 1.552 . . . . 0.0 107.62 -177.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -146.33 168.38 21.25 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 123.237 0.615 . . . . 0.0 110.735 165.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -126.76 137.93 53.3 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 105.46 -2.052 . . . . 0.0 105.46 167.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.2 mt -134.39 142.7 40.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 -172.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.3 mm -120.12 143.03 33.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 N-CA-C 105.51 -2.033 . . . . 0.0 105.51 173.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.6 t -136.12 132.65 50.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 -177.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -119.08 153.79 34.21 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 126.188 1.795 . . . . 0.0 109.004 -176.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.85 -156.73 21.85 Favored Glycine 0 CA--C 1.522 0.529 0 C-N-CA 124.23 0.919 . . . . 0.0 111.61 173.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.8 ttp-105 -73.94 82.6 1.7 Allowed 'General case' 0 N--CA 1.462 0.133 0 N-CA-C 106.126 -1.805 . . . . 0.0 106.126 163.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.4 m -132.37 9.73 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 123.632 0.773 . . . . 0.0 111.298 -174.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -141.58 165.65 26.91 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.097 1.359 . . . . 0.0 107.547 167.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.82 -50.79 3.94 Favored Glycine 0 CA--C 1.529 0.943 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 -166.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.7 m -59.09 150.34 5.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 153.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.41 31.2 1.88 Allowed Glycine 0 CA--C 1.529 0.953 0 C-N-CA 124.256 0.931 . . . . 0.0 113.771 -172.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -59.96 -32.7 71.07 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 118.442 1.121 . . . . 0.0 112.306 -171.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -53.05 -46.15 68.37 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 119.085 0.857 . . . . 0.0 110.291 175.183 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -73.82 -36.93 65.01 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.246 0.618 . . . . 0.0 110.471 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -56.27 -51.58 67.63 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.814 0.734 . . . . 0.0 110.01 175.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.0 t -61.5 -41.27 89.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 123.26 0.624 . . . . 0.0 109.783 178.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.17 -49.01 75.22 Favored 'General case' 0 C--N 1.342 0.264 0 CA-C-N 118.829 0.741 . . . . 0.0 110.969 178.094 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 95.8 mtp -72.47 -37.67 68.42 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 122.719 0.408 . . . . 0.0 110.507 -174.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -68.49 -29.37 67.96 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.347 0.521 . . . . 0.0 111.739 178.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.13 -45.21 58.13 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 118.921 0.782 . . . . 0.0 110.54 171.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -64.97 -44.45 89.33 Favored 'General case' 0 C--O 1.231 0.117 0 C-N-CA 123.788 0.835 . . . . 0.0 111.595 -174.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -16.18 50.36 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 175.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 tpt85 -110.48 7.25 22.61 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.191 1.396 . . . . 0.0 111.282 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt 48.63 33.06 3.86 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.318 1.847 . . . . 0.0 112.911 -178.021 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.0 mt -73.94 165.83 24.44 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 169.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -139.41 151.01 45.93 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.088 0.955 . . . . 0.0 109.051 176.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 141.64 -150.64 22.1 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -167.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.2 p90 -140.54 165.2 28.1 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 118.332 1.066 . . . . 0.0 112.671 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.1 p -131.38 141.01 47.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 N-CA-C 106.347 -1.723 . . . . 0.0 106.347 158.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -153.74 156.7 38.26 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 121.551 0.691 . . . . 0.0 112.722 -176.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.3 t30 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 114.565 -1.198 . . . . 0.0 109.551 169.73 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 45.7 mtm180 . . . . . 0 C--O 1.234 0.276 0 CA-C-O 122.453 1.12 . . . . 0.0 111.775 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 83.4 t -114.29 147.63 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 171.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -116.98 141.23 48.5 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 171.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.5 mt -128.8 144.93 36.57 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 N-CA-C 104.907 -2.257 . . . . 0.0 104.907 175.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.7 tt -143.92 128.27 17.86 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 105.115 -2.179 . . . . 0.0 105.115 174.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -142.74 152.76 42.66 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 118.501 0.591 . . . . 0.0 110.08 -178.021 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -125.26 155.05 40.74 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 125.752 1.621 . . . . 0.0 109.332 164.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 158.63 -168.58 34.89 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 123.951 0.786 . . . . 0.0 111.676 177.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -56.9 144.68 87.84 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 123.526 2.817 . . . . 0.0 111.5 172.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -62.48 -34.9 77.76 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.517 0.727 . . . . 0.0 111.211 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -67.15 -47.16 71.87 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.006 -1.058 . . . . 0.0 110.933 176.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.51 -46.01 90.08 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 123.688 0.795 . . . . 0.0 110.384 178.284 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 43.7 mt -62.27 -40.83 97.51 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 118.325 -0.845 . . . . 0.0 110.95 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -62.25 -48.33 80.41 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 119.974 1.261 . . . . 0.0 111.031 176.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.6 p -58.86 -33.48 70.51 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 118.711 0.687 . . . . 0.0 111.356 175.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -71.29 -33.9 70.14 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 117.423 -1.275 . . . . 0.0 111.177 178.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.5 t -62.21 -44.71 99.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-N 121.134 1.788 . . . . 0.0 108.973 168.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -60.8 -34.44 74.51 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.085 0.857 . . . . 0.0 111.36 -178.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.88 -54.16 21.05 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.101 0.56 . . . . 0.0 110.766 171.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.2 t -60.75 -42.94 94.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 124.494 1.118 . . . . 0.0 111.086 -173.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -66.43 -19.73 65.87 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 119.073 0.851 . . . . 0.0 112.655 -175.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -72.25 -22.12 61.28 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.945 0.793 . . . . 0.0 111.528 172.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.77 -169.66 41.51 Favored Glycine 0 CA--C 1.533 1.216 0 N-CA-C 109.069 -1.612 . . . . 0.0 109.069 -156.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 96.8 p -70.04 162.86 66.05 Favored Pre-proline 0 CA--C 1.539 0.532 0 O-C-N 121.34 -1.094 . . . . 0.0 108.107 157.118 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_exo -47.88 -26.57 7.4 Favored 'Trans proline' 0 CA--C 1.542 0.905 0 C-N-CA 123.415 2.744 . . . . 0.0 114.624 164.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -87.15 -23.95 24.66 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.704 0.802 . . . . 0.0 111.955 178.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.3 m -71.59 171.28 11.72 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.868 0.867 . . . . 0.0 111.777 -177.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -138.41 98.28 3.56 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 105.548 -2.019 . . . . 0.0 105.548 160.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 68.5 t -64.26 135.35 28.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 N-CA-C 106.745 -1.576 . . . . 0.0 106.745 168.077 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 56.6 p -115.8 -21.51 9.56 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.605 0.762 . . . . 0.0 110.678 175.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -157.29 156.31 32.21 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 124.621 1.168 . . . . 0.0 108.929 170.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.8 tt -146.78 146.67 18.51 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 C-N-CA 125.624 1.57 . . . . 0.0 107.924 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.5 m -136.76 145.32 44.45 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 125.69 1.596 . . . . 0.0 107.912 -176.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 49.9 t -138.06 142.91 34.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 C-N-CA 124.292 1.037 . . . . 0.0 108.414 -174.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.0 m -137.55 112.53 9.04 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 105.976 -1.861 . . . . 0.0 105.976 171.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -69.66 157.34 37.44 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 169.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 75.2 m -156.09 162.57 40.25 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.814 1.246 . . . . 0.0 109.545 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.4 mtt85 -140.29 42.16 1.91 Allowed 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.195 1.398 . . . . 0.0 108.475 -177.069 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.7 m -136.37 60.19 1.68 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 126.927 2.091 . . . . 0.0 106.428 -171.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.6 mp -55.57 153.15 8.12 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.688 1.595 . . . . 0.0 113.057 -161.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -73.71 -37.35 65.19 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.101 1.36 . . . . 0.0 110.175 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 65.86 24.93 71.71 Favored Glycine 0 CA--C 1.535 1.336 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 -162.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.92 134.72 57.3 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 -175.154 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -81.47 -16.23 52.6 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -172.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -153.84 174.64 14.31 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 125.924 1.69 . . . . 0.0 108.698 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -89.56 142.91 27.24 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 162.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.3 m -137.76 164.43 28.91 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 119.28 0.945 . . . . 0.0 112.001 -170.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.6 mt -112.86 140.32 33.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 N-CA-C 105.463 -2.051 . . . . 0.0 105.463 170.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.0 t . . . . . 0 CA--C 1.535 0.368 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 173.84 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.5 mtt . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 121.002 0.429 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -136.38 176.27 8.85 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 125.6 1.56 . . . . 0.0 108.555 -177.737 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -148.65 147.9 29.48 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 -178.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -141.85 170.5 15.59 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 123.282 0.633 . . . . 0.0 110.531 169.452 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -130.41 138.69 50.47 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 105.593 -2.003 . . . . 0.0 105.593 167.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.8 mt -132.47 140.23 48.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 106.17 -1.789 . . . . 0.0 106.17 -175.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.1 mm -125.39 135.12 64.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 N-CA-C 105.467 -2.049 . . . . 0.0 105.467 -174.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.4 t -133.73 135.11 55.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 -170.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -110.33 149.5 30.12 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 106.821 -1.548 . . . . 0.0 106.821 166.228 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.13 -174.38 36.89 Favored Glycine 0 N--CA 1.446 -0.642 0 CA-C-O 121.349 0.416 . . . . 0.0 112.556 176.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.6 ttp-105 -71.77 99.66 2.2 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 105.214 -2.143 . . . . 0.0 105.214 152.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.8 m -138.69 -28.66 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -177.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.3 mp0 -75.43 -56.85 4.31 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 120.165 1.348 . . . . 0.0 111.585 -172.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.17 -31.58 72.06 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.737 -0.545 . . . . 0.0 111.737 -172.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.6 m -73.74 -5.95 7.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 C-N-CA 125.07 1.348 . . . . 0.0 112.428 174.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.12 35.28 49.74 Favored Glycine 0 C--N 1.341 0.835 0 CA-C-N 119.066 0.848 . . . . 0.0 112.678 171.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -53.58 -34.67 59.2 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 118.332 1.066 . . . . 0.0 112.235 -178.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.7 ptt-85 -51.46 -37.42 48.75 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.552 -0.717 . . . . 0.0 112.83 175.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -72.39 -40.63 67.07 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 118.922 0.783 . . . . 0.0 109.948 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -60.11 -48.93 79.65 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 118.416 0.553 . . . . 0.0 110.018 176.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.1 t -52.77 -52.81 24.7 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 C-N-CA 124.009 0.924 . . . . 0.0 109.198 175.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -59.71 -45.51 91.9 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 118.237 0.471 . . . . 0.0 111.374 -176.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.8 mtt -74.88 -34.65 62.24 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.788 -0.57 . . . . 0.0 110.766 -172.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -73.9 -24.63 59.72 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.544 -0.723 . . . . 0.0 111.4 174.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.48 -46.94 62.78 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 119.194 0.906 . . . . 0.0 109.618 169.136 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -63.33 -39.16 93.77 Favored 'General case' 0 N--CA 1.458 -0.051 0 C-N-CA 124.283 1.033 . . . . 0.0 111.654 -176.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -21.99 66.88 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 118.915 0.779 . . . . 0.0 112.081 176.537 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.5 mmm-85 -98.06 4.7 49.21 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.323 1.049 . . . . 0.0 112.072 172.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt 48.99 33.96 5.1 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.976 1.711 . . . . 0.0 112.551 -173.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.4 mt -69.76 165.35 21.6 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 169.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.62 149.09 51.53 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 124.645 1.178 . . . . 0.0 108.335 175.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 160.03 -163.68 33.9 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 120.712 -0.756 . . . . 0.0 114.686 -169.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 1.4 p90 -135.78 163.14 30.87 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 123.963 0.905 . . . . 0.0 111.335 173.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.6 p -137.14 141.84 39.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 165.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -154.12 153.02 31.11 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 123.194 0.598 . . . . 0.0 111.338 177.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.1 t30 . . . . . 0 CA--C 1.535 0.379 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 163.729 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 . . . . . 0 CA--C 1.529 0.146 0 CA-C-O 121.475 0.655 . . . . 0.0 109.772 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.2 t -118.88 148.93 21.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 104.939 -2.245 . . . . 0.0 104.939 159.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -123.61 141.58 51.87 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 125.072 1.349 . . . . 0.0 107.939 177.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.7 mt -128.09 143.13 41.86 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 N-CA-C 104.079 -2.563 . . . . 0.0 104.079 178.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.3 tt -140.95 128.65 21.55 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 105.001 -2.222 . . . . 0.0 105.001 173.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -141.97 153.57 44.4 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 118.613 0.642 . . . . 0.0 110.319 -174.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -130.82 142.5 50.39 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 126.884 2.074 . . . . 0.0 107.63 175.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 170.19 -173.43 44.2 Favored Glycine 0 CA--C 1.527 0.811 0 CA-C-O 119.685 -0.508 . . . . 0.0 112.05 176.158 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -68.88 152.22 73.71 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 C-N-CA 122.425 2.083 . . . . 0.0 109.934 171.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -60.48 -39.77 88.89 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.119 0.568 . . . . 0.0 111.727 -170.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -61.84 -44.14 97.44 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 119.116 0.871 . . . . 0.0 111.414 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.34 -43.63 90.27 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.2 mt -62.03 -47.02 86.59 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 118.794 -0.622 . . . . 0.0 110.754 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -63.05 -44.88 94.63 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.703 1.138 . . . . 0.0 110.83 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.6 m -59.2 -37.62 77.88 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.214 0.531 . . . . 0.0 110.352 175.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -70.89 -29.74 65.9 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-O 117.12 -1.419 . . . . 0.0 111.696 176.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.3 t -62.92 -44.22 99.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 CA-C-N 121.51 1.959 . . . . 0.0 108.703 167.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.44 -34.98 74.76 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.005 0.82 . . . . 0.0 111.148 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.21 -54.49 20.61 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.287 0.494 . . . . 0.0 111.548 170.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.1 t -60.5 -42.98 93.33 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 124.736 1.215 . . . . 0.0 111.225 -172.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -64.28 -19.84 65.68 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.775 0.716 . . . . 0.0 112.507 -174.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -70.28 -27.24 64.26 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.48 0.582 . . . . 0.0 111.892 174.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.44 -174.41 38.51 Favored Glycine 0 CA--C 1.536 1.392 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -154.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.0 m -63.56 157.95 62.23 Favored Pre-proline 0 CA--C 1.54 0.584 0 O-C-N 121.15 -1.206 . . . . 0.0 108.016 157.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_exo -47.17 -34.04 16.93 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 123.199 2.599 . . . . 0.0 113.947 165.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -80.44 -19.69 45.52 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.115 0.966 . . . . 0.0 113.161 178.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.4 m -71.29 172.81 8.68 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 123.853 0.861 . . . . 0.0 112.006 -177.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -139.37 95.56 2.95 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 162.496 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 97.7 t -62.52 135.44 26.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 170.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.0 p -115.95 -23.82 8.39 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.074 0.95 . . . . 0.0 110.822 177.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -159.09 150.91 20.74 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.624 1.17 . . . . 0.0 108.868 172.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.4 tt -143.85 144.09 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 C-N-CA 124.674 1.19 . . . . 0.0 108.804 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 44.2 m -142.14 159.81 41.49 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.167 1.787 . . . . 0.0 109.126 -177.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.7 t -139.12 147.88 24.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 124.196 0.998 . . . . 0.0 109.423 -169.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -127.69 145.08 51.01 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 127.373 2.269 . . . . 0.0 105.053 166.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -127.22 139.72 52.73 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.4 m -150.87 165.86 32.34 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.063 0.545 . . . . 0.0 110.613 -159.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 83.0 mtt85 -137.1 25.25 3.0 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.742 1.217 . . . . 0.0 109.284 168.496 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.7 m -85.95 58.0 4.8 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.581 1.952 . . . . 0.0 107.887 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 37.5 mt -51.65 140.72 18.05 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.344 1.458 . . . . 0.0 112.712 -159.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -72.31 -35.02 68.54 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.715 1.206 . . . . 0.0 109.5 172.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 61.14 15.95 46.29 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 124.222 0.915 . . . . 0.0 112.947 -173.097 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -77.7 169.62 17.99 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.731 1.212 . . . . 0.0 110.374 -178.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 31.7 p-80 -128.87 10.22 5.94 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.329 1.452 . . . . 0.0 111.522 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -147.71 170.78 16.82 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 125.615 1.566 . . . . 0.0 108.875 -174.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.01 145.06 48.5 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.1 m -129.68 153.43 48.15 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.428 0.691 . . . . 0.0 110.862 -168.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 9.8 mt -115.54 133.28 62.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 N-CA-C 105.142 -2.17 . . . . 0.0 105.142 172.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 CA--C 1.534 0.334 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 -176.147 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.8 mmm . . . . . 0 N--CA 1.485 1.3 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 32.9 tp -145.95 172.44 13.37 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.388 1.475 . . . . 0.0 107.315 169.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -149.23 141.41 24.01 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 126.268 1.827 . . . . 0.0 107.315 -174.265 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -142.88 167.88 21.02 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 123.38 0.672 . . . . 0.0 111.093 171.558 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -126.51 140.16 52.67 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 105.771 -1.937 . . . . 0.0 105.771 166.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.7 mt -133.35 139.67 48.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 17.2 mm -112.89 143.55 22.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 105.248 -2.13 . . . . 0.0 105.248 174.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.5 t -138.07 137.48 44.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 -174.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -137.54 154.62 49.79 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 125.592 1.557 . . . . 0.0 109.402 -176.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.89 -157.01 23.16 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 125.552 1.549 . . . . 0.0 109.977 -175.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -72.62 84.72 1.16 Allowed 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 106.421 -1.696 . . . . 0.0 106.421 160.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.6 m -135.52 6.83 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 123.44 0.696 . . . . 0.0 111.635 -173.172 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -134.13 163.91 28.53 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 166.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.81 -50.7 3.92 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -167.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.4 m -60.03 150.21 6.45 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 156.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.25 37.21 2.19 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 124.341 0.972 . . . . 0.0 113.166 -173.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -59.67 -34.34 72.72 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.328 1.064 . . . . 0.0 112.348 -170.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 46.7 mtm-85 -53.09 -45.4 68.19 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.146 0.885 . . . . 0.0 111.189 173.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -70.87 -37.1 73.06 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 119.064 -0.493 . . . . 0.0 110.334 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -58.28 -53.39 58.78 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.88 0.763 . . . . 0.0 110.152 175.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.7 t -58.8 -40.23 79.27 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 123.169 0.587 . . . . 0.0 109.595 178.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -56.85 -49.68 74.72 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-N 118.435 0.562 . . . . 0.0 111.164 177.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.9 mtt -72.15 -37.21 69.45 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 122.453 0.301 . . . . 0.0 110.393 -173.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -70.74 -25.76 63.06 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.332 0.514 . . . . 0.0 111.802 177.016 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.05 -44.36 48.15 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 119.233 0.924 . . . . 0.0 110.259 170.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -65.54 -42.64 91.69 Favored 'General case' 0 C--O 1.231 0.109 0 C-N-CA 124.329 1.052 . . . . 0.0 111.554 -174.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -21.9 61.37 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.509 0.595 . . . . 0.0 111.99 175.528 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -108.47 7.3 26.83 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.83 1.252 . . . . 0.0 111.295 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt 44.91 36.7 2.0 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.417 1.887 . . . . 0.0 112.863 -176.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.7 mt -70.54 165.39 22.8 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 171.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.55 147.23 52.21 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 123.827 0.851 . . . . 0.0 109.267 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 139.98 -150.61 21.6 Favored Glycine 0 CA--C 1.531 1.091 0 N-CA-C 112.191 -0.363 . . . . 0.0 112.191 -169.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 13.1 p90 -149.81 167.14 27.39 Favored 'General case' 0 C--O 1.235 0.298 0 O-C-N 121.912 -0.758 . . . . 0.0 112.668 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.3 p -130.91 137.39 56.02 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 106.951 -1.5 . . . . 0.0 106.951 162.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -147.95 162.94 38.3 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 124.589 1.155 . . . . 0.0 110.996 -170.008 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.9 t30 . . . . . 0 CA--C 1.539 0.554 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 162.683 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? . . . . . 0 C--O 1.234 0.257 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.8 t -101.04 147.56 7.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 165.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -133.44 136.53 45.25 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 106.39 -1.707 . . . . 0.0 106.39 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.1 mt -131.22 143.83 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 104.483 -2.414 . . . . 0.0 104.483 -173.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.8 tt -142.08 125.97 17.15 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 105.475 -2.046 . . . . 0.0 105.475 175.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -141.59 152.41 44.0 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.132 0.573 . . . . 0.0 109.552 -175.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -133.28 154.18 50.91 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 125.321 1.448 . . . . 0.0 108.97 169.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.95 -171.31 38.71 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-O 119.661 -0.522 . . . . 0.0 112.094 -178.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -55.58 146.66 63.26 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 123.835 3.023 . . . . 0.0 111.405 167.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.52 -32.91 74.56 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.751 -0.593 . . . . 0.0 112.349 -176.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -70.21 -43.46 70.61 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.359 0.982 . . . . 0.0 110.463 177.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.11 -45.89 91.45 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.265 0.626 . . . . 0.0 109.771 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.3 mt -64.0 -44.51 92.41 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 118.348 -0.834 . . . . 0.0 111.47 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -63.66 -42.72 98.05 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 120.267 1.394 . . . . 0.0 110.935 178.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.6 m -58.56 -38.9 78.81 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.046 0.451 . . . . 0.0 110.137 174.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -70.41 -29.85 66.57 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 117.52 -1.229 . . . . 0.0 111.582 177.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.0 t -62.44 -45.16 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-N 121.239 1.836 . . . . 0.0 108.593 168.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -60.36 -37.63 81.31 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.823 0.738 . . . . 0.0 110.928 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.07 -49.52 69.72 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.027 0.376 . . . . 0.0 111.341 173.024 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.1 t -65.32 -46.36 90.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 C-N-CA 124.283 1.033 . . . . 0.0 111.019 -174.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -64.52 -23.46 67.28 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 119.079 0.854 . . . . 0.0 111.999 -173.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -66.08 -28.66 68.99 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.39 0.541 . . . . 0.0 111.549 174.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.54 -177.23 37.44 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 -156.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 98.3 p -67.02 159.81 74.18 Favored Pre-proline 0 CA--C 1.537 0.46 0 C-N-CA 118.855 -1.138 . . . . 0.0 108.217 159.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_exo -47.11 -27.5 6.36 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 123.447 2.765 . . . . 0.0 114.545 163.205 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -82.55 -27.08 31.84 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.537 0.735 . . . . 0.0 111.884 176.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.6 m -71.61 171.04 12.16 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.863 0.865 . . . . 0.0 111.428 -178.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -142.32 88.32 2.08 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 105.941 -1.874 . . . . 0.0 105.941 166.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 70.7 t -62.58 135.94 26.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 174.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.8 p -110.59 -27.04 9.14 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.182 0.993 . . . . 0.0 110.457 173.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -159.27 149.0 18.75 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 123.952 0.901 . . . . 0.0 110.125 -178.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 10.1 pt -131.25 160.81 42.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 125.129 1.372 . . . . 0.0 109.342 170.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.3 m -141.67 157.83 44.58 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.499 1.52 . . . . 0.0 108.211 174.219 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 40.1 t -139.48 146.89 24.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 C-N-CA 123.636 0.774 . . . . 0.0 109.651 -170.078 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -131.21 148.43 52.7 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 127.144 2.178 . . . . 0.0 105.368 167.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -132.96 151.73 52.02 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 119.596 1.089 . . . . 0.0 108.234 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 55.0 m -160.68 168.88 23.96 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.3 1.04 . . . . 0.0 109.886 -175.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -140.66 63.79 1.45 Allowed 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 165.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.4 m -134.83 61.98 1.66 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 127.631 2.372 . . . . 0.0 105.298 -176.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -53.43 149.56 7.55 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 126.531 1.932 . . . . 0.0 113.202 -154.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -70.26 -29.8 66.68 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.466 1.106 . . . . 0.0 109.747 170.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 58.89 31.18 67.6 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.047 0.832 . . . . 0.0 112.093 -177.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -85.03 167.94 15.36 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.939 1.296 . . . . 0.0 109.811 -178.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -130.14 10.71 5.42 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.486 1.115 . . . . 0.0 111.441 -178.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -147.75 161.46 41.18 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 125.036 1.335 . . . . 0.0 108.985 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -100.65 156.23 17.43 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 166.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -138.64 158.62 43.89 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 122.883 0.473 . . . . 0.0 111.853 -168.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 40.5 mt -115.42 143.35 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 106.634 -1.617 . . . . 0.0 106.634 168.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.539 0.522 0 N-CA-C 106.874 -1.528 . . . . 0.0 106.874 167.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.482 1.127 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 33.9 tp -149.02 -179.95 7.41 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.718 2.007 . . . . 0.0 107.232 176.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -145.83 148.79 33.27 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 126.526 1.93 . . . . 0.0 107.119 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -145.46 168.11 21.34 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 123.414 0.685 . . . . 0.0 111.295 169.768 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -129.31 139.14 51.86 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 105.732 -1.951 . . . . 0.0 105.732 165.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.2 mt -134.14 144.58 34.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 106.601 -1.629 . . . . 0.0 106.601 -173.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 14.8 mm -124.78 142.97 39.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 N-CA-C 105.633 -1.988 . . . . 0.0 105.633 177.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.0 t -136.62 139.72 44.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 -176.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -124.14 155.93 37.58 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 125.776 1.63 . . . . 0.0 108.682 177.206 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.17 -159.57 24.07 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 124.581 1.086 . . . . 0.0 110.979 173.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.3 ttp-105 -73.0 79.59 1.19 Allowed 'General case' 0 C--O 1.227 -0.12 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 159.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.9 m -129.3 4.54 2.62 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 C-N-CA 124.538 1.135 . . . . 0.0 110.064 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -139.64 156.68 46.7 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.844 2.058 . . . . 0.0 105.628 172.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.91 15.18 73.81 Favored Glycine 0 CA--C 1.539 1.534 0 N-CA-C 111.76 -0.536 . . . . 0.0 111.76 -160.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.1 m -142.55 160.13 19.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 128.154 2.581 . . . . 0.0 105.484 174.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.36 24.2 1.43 Allowed Glycine 0 CA--C 1.532 1.103 0 C-N-CA 123.903 0.764 . . . . 0.0 114.286 -172.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -60.51 -35.61 76.37 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.825 1.313 . . . . 0.0 112.433 -171.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.0 mtt85 -59.43 -39.59 84.02 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.529 1.059 . . . . 0.0 110.417 178.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -71.91 -37.17 70.12 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 119.023 -0.513 . . . . 0.0 110.7 176.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -56.61 -52.39 65.03 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 118.934 0.788 . . . . 0.0 109.755 175.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.03 -42.88 91.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 123.812 0.845 . . . . 0.0 109.864 177.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.5 tp60 -56.07 -49.12 74.69 Favored 'General case' 0 C--N 1.34 0.19 0 CA-C-N 118.689 0.677 . . . . 0.0 110.892 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.4 mmm -75.85 -34.71 60.08 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 119.436 -0.316 . . . . 0.0 110.42 -173.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -67.26 -31.1 71.2 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.407 0.549 . . . . 0.0 111.49 175.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.7 -44.49 64.11 Favored 'General case' 0 CA--C 1.528 0.114 0 CA-C-N 119.14 0.882 . . . . 0.0 110.484 172.192 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -65.92 -43.07 89.17 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 123.559 0.744 . . . . 0.0 111.797 -175.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.67 -18.0 63.53 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.009 0.822 . . . . 0.0 112.207 175.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.2 tpt85 -105.27 3.68 30.24 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.938 1.295 . . . . 0.0 111.377 177.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm 41.66 42.21 1.98 Allowed 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 127.181 2.193 . . . . 0.0 112.811 -174.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 79.5 mt -73.44 165.25 25.41 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 166.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.24 146.54 51.13 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 124.155 0.982 . . . . 0.0 109.206 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 142.99 -154.24 25.24 Favored Glycine 0 CA--C 1.533 1.171 0 CA-C-N 118.044 0.384 . . . . 0.0 112.49 -170.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 7.7 p90 -140.96 164.54 29.99 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 118.047 0.924 . . . . 0.0 112.726 -178.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 p -132.04 143.77 39.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 159.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -156.36 161.07 40.18 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 123.011 0.524 . . . . 0.0 112.036 -174.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 . . . . . 0 CA--C 1.532 0.277 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 158.555 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.1 mmp_? . . . . . 0 C--O 1.236 0.355 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.8 t -99.72 146.0 9.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 105.13 -2.174 . . . . 0.0 105.13 159.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -122.96 139.81 53.68 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 106.268 -1.753 . . . . 0.0 106.268 171.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.1 mt -130.56 144.96 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 N-CA-C 104.743 -2.318 . . . . 0.0 104.743 178.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.9 tt -142.61 128.28 19.22 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 104.71 -2.33 . . . . 0.0 104.71 176.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -142.03 153.28 44.12 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.257 0.551 . . . . 0.0 109.847 -176.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -143.4 139.16 29.84 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 126.239 1.816 . . . . 0.0 106.753 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 159.82 -167.5 35.33 Favored Glycine 0 CA--C 1.526 0.74 0 CA-C-O 119.327 -0.707 . . . . 0.0 111.677 -177.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -52.78 136.74 59.62 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 123.206 2.604 . . . . 0.0 111.032 172.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -61.0 -33.56 73.44 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.787 -0.571 . . . . 0.0 111.763 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -65.36 -43.66 90.11 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.111 0.869 . . . . 0.0 111.265 175.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.9 -43.16 99.54 Favored 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 123.003 0.521 . . . . 0.0 109.814 176.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 54.2 mt -63.55 -46.0 87.95 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-O 118.423 -0.799 . . . . 0.0 110.942 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -60.5 -43.72 96.75 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 120.179 1.354 . . . . 0.0 110.64 177.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.2 m -58.06 -39.56 78.79 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.033 0.444 . . . . 0.0 110.499 174.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -69.9 -33.86 72.76 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 117.313 -1.327 . . . . 0.0 111.428 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.0 t -62.02 -45.07 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-N 121.283 1.856 . . . . 0.0 108.889 169.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.76 -34.64 74.76 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.879 0.763 . . . . 0.0 111.221 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.8 -52.94 31.19 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.236 0.471 . . . . 0.0 111.321 171.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 19.2 t -61.11 -42.97 95.3 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 C-N-CA 124.715 1.206 . . . . 0.0 111.044 -173.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -65.03 -18.65 65.48 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.986 0.812 . . . . 0.0 112.839 -175.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -67.72 -27.17 66.58 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.864 0.756 . . . . 0.0 111.597 172.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.6 -174.2 35.94 Favored Glycine 0 CA--C 1.533 1.173 0 N-CA-C 109.086 -1.606 . . . . 0.0 109.086 -153.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 95.9 p -68.05 162.58 58.46 Favored Pre-proline 0 CA--C 1.537 0.457 0 O-C-N 120.895 -1.356 . . . . 0.0 107.627 157.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -58.06 -17.13 29.97 Favored 'Trans proline' 0 CA--C 1.544 1.009 0 C-N-CA 122.162 1.908 . . . . 0.0 113.391 167.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -85.82 -23.46 27.16 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.26 0.936 . . . . 0.0 111.898 173.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.3 m -74.61 172.61 11.74 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.936 0.894 . . . . 0.0 112.015 -177.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -139.29 101.72 4.32 Favored 'General case' 0 C--O 1.231 0.094 0 N-CA-C 105.36 -2.089 . . . . 0.0 105.36 158.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 66.6 t -64.01 135.94 27.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 167.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 69.1 p -115.62 -22.74 9.07 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.37 0.668 . . . . 0.0 110.756 174.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -156.61 154.47 30.24 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 124.443 1.097 . . . . 0.0 109.034 172.136 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.4 tt -147.73 146.21 18.28 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 C-N-CA 125.585 1.554 . . . . 0.0 107.963 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.9 m -138.3 147.2 43.32 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 125.796 1.638 . . . . 0.0 108.197 -176.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.0 t -138.3 143.68 32.23 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 124.231 1.012 . . . . 0.0 108.443 -173.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.2 m -137.39 112.25 8.93 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 105.894 -1.891 . . . . 0.0 105.894 171.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -71.18 160.9 32.01 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 168.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 63.5 m -156.6 164.09 38.59 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 124.818 1.247 . . . . 0.0 109.309 176.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 50.5 ttm-85 -140.32 58.94 1.57 Allowed 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 174.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.5 m -134.68 55.53 1.89 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 127.06 2.144 . . . . 0.0 106.326 178.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.6 mp -52.17 147.53 7.47 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 126.775 2.03 . . . . 0.0 113.103 -156.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -64.71 -33.79 76.8 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.661 1.184 . . . . 0.0 112.104 -176.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.98 14.04 54.62 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 123.79 0.71 . . . . 0.0 112.709 -173.021 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -79.48 166.21 22.22 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.714 1.206 . . . . 0.0 109.784 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -135.56 19.59 3.33 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.347 1.059 . . . . 0.0 111.248 -178.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -151.95 162.22 41.42 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 124.776 1.231 . . . . 0.0 109.117 176.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -106.12 152.89 22.84 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 170.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.1 m -138.28 156.28 47.8 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.105 0.562 . . . . 0.0 111.686 -174.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.3 mt -104.24 136.29 38.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 104.516 -2.402 . . . . 0.0 104.516 162.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 39.9 t . . . . . 0 CA--C 1.537 0.463 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 -176.479 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.0 mtt . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.786 0.327 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -143.33 177.82 8.16 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.728 1.611 . . . . 0.0 108.364 -178.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -152.9 154.93 36.06 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.124 1.369 . . . . 0.0 107.593 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -148.2 166.29 28.35 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 121.774 -0.579 . . . . 0.0 110.448 165.147 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 34.9 ttm-85 -115.1 140.73 48.82 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 105.645 -1.983 . . . . 0.0 105.645 160.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.0 mt -132.13 139.89 49.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 106.553 -1.647 . . . . 0.0 106.553 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.4 mm -117.45 141.3 36.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 N-CA-C 105.145 -2.169 . . . . 0.0 105.145 173.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.6 t -136.23 138.8 46.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 -176.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -136.76 153.16 50.92 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 125.192 1.397 . . . . 0.0 109.317 -171.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.15 -154.49 21.22 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 -178.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.6 ttp-105 -74.25 82.39 1.85 Allowed 'General case' 0 N--CA 1.461 0.077 0 N-CA-C 106.234 -1.765 . . . . 0.0 106.234 162.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.5 m -130.65 9.55 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 C-N-CA 123.65 0.78 . . . . 0.0 111.175 -174.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -134.37 149.88 50.87 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 173.116 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.5 18.44 79.4 Favored Glycine 0 CA--C 1.534 1.267 0 CA-C-O 119.693 -0.504 . . . . 0.0 112.699 -169.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.9 m -136.82 21.94 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 125.796 1.638 . . . . 0.0 110.749 -174.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 69.2 10.92 63.22 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 124.379 0.99 . . . . 0.0 114.158 175.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -63.2 -36.54 83.99 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.959 1.38 . . . . 0.0 112.655 -166.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.5 mtm180 -58.79 -40.57 84.43 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.927 1.24 . . . . 0.0 110.824 176.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -69.18 -39.22 78.85 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 118.259 0.482 . . . . 0.0 110.302 177.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -57.48 -52.87 63.62 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.718 0.69 . . . . 0.0 109.896 175.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.6 t -58.79 -41.13 81.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 C-N-CA 123.553 0.741 . . . . 0.0 109.743 178.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -56.89 -49.95 73.98 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 118.723 0.692 . . . . 0.0 110.968 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 96.8 mtp -72.11 -37.11 69.58 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 122.626 0.37 . . . . 0.0 110.481 -173.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -71.61 -28.03 63.52 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 118.426 0.557 . . . . 0.0 111.73 177.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.43 -44.56 64.61 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 119.207 0.912 . . . . 0.0 110.042 171.048 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -64.79 -43.97 91.49 Favored 'General case' 0 C--O 1.231 0.088 0 C-N-CA 123.903 0.881 . . . . 0.0 111.471 -175.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -25.2 66.93 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 118.623 0.647 . . . . 0.0 111.646 176.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.0 tpt85 -99.8 6.72 45.38 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.44 1.096 . . . . 0.0 111.674 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt 48.6 34.18 4.78 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.533 1.933 . . . . 0.0 112.922 -178.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 80.4 mt -73.8 165.56 24.9 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 121.828 -0.545 . . . . 0.0 109.545 172.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.69 147.15 50.73 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 124.14 0.976 . . . . 0.0 108.751 175.085 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 145.03 -156.43 26.93 Favored Glycine 0 CA--C 1.529 0.941 0 CA-C-N 117.948 0.34 . . . . 0.0 112.389 -169.064 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 1.8 p90 -143.25 167.29 22.48 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 117.82 0.81 . . . . 0.0 112.802 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.5 p -135.7 141.41 42.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 159.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -152.82 170.76 19.52 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.789 1.236 . . . . 0.0 111.435 -178.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 . . . . . 0 CA--C 1.538 0.499 0 C-N-CA 123.452 0.701 . . . . 0.0 109.719 162.633 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 . . . . . 0 N--CA 1.467 0.41 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.8 t -108.65 147.3 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 106.182 -1.784 . . . . 0.0 106.182 165.029 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -133.83 134.23 42.56 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.49 1.516 . . . . 0.0 107.055 -177.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 17.8 mt -130.9 146.48 33.91 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 N-CA-C 104.778 -2.305 . . . . 0.0 104.778 -172.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.1 tt -143.68 129.19 19.08 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 105.19 -2.152 . . . . 0.0 105.19 174.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -141.4 154.27 45.52 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.17 0.588 . . . . 0.0 109.894 -176.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -142.04 141.19 32.79 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 126.588 1.955 . . . . 0.0 107.103 178.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 161.95 -168.82 37.17 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-O 119.627 -0.541 . . . . 0.0 112.144 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -54.16 146.02 51.25 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 123.587 2.858 . . . . 0.0 111.86 171.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -59.77 -45.07 93.41 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.022 0.529 . . . . 0.0 110.575 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -62.86 -43.71 98.08 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.949 -0.469 . . . . 0.0 111.294 -178.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.98 -45.83 91.42 Favored 'General case' 0 C--N 1.34 0.157 0 C-N-CA 123.195 0.598 . . . . 0.0 110.401 175.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.2 mt -63.14 -40.53 97.84 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 118.32 -0.848 . . . . 0.0 110.982 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -63.51 -46.89 84.0 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 120.173 1.351 . . . . 0.0 110.903 177.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.8 m -57.6 -36.58 71.94 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.411 0.55 . . . . 0.0 110.915 174.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -70.51 -32.83 70.48 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 117.369 -1.3 . . . . 0.0 111.671 178.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.92 -45.23 99.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-N 121.257 1.844 . . . . 0.0 108.763 169.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.85 -34.44 74.59 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.673 0.67 . . . . 0.0 111.434 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.7 -53.19 29.62 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 122.908 0.483 . . . . 0.0 110.955 171.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.1 t -61.22 -43.66 96.88 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 C-N-CA 124.457 1.103 . . . . 0.0 110.939 -173.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -64.39 -18.54 64.79 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 119.032 0.833 . . . . 0.0 112.926 -176.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -69.32 -23.49 63.8 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.071 0.85 . . . . 0.0 111.835 174.02 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.57 -170.04 43.42 Favored Glycine 0 CA--C 1.534 1.231 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 -157.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 97.7 p -69.75 162.51 67.27 Favored Pre-proline 0 CA--C 1.539 0.544 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 157.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_exo -48.25 -25.54 7.14 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 123.493 2.795 . . . . 0.0 114.569 164.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -90.84 -18.86 24.13 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.066 0.946 . . . . 0.0 112.148 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.0 m -73.5 170.83 14.32 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.894 0.878 . . . . 0.0 112.007 -179.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -137.73 97.94 3.55 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 105.383 -2.08 . . . . 0.0 105.383 159.145 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.8 t -63.79 135.47 27.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 168.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.4 p -119.24 -18.78 8.55 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.845 0.858 . . . . 0.0 110.673 174.15 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -155.66 153.48 30.08 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 124.156 0.982 . . . . 0.0 109.456 171.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.2 tt -147.46 147.25 17.61 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 C-N-CA 125.809 1.644 . . . . 0.0 107.763 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.3 m -138.75 146.31 41.28 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 125.682 1.593 . . . . 0.0 108.037 -175.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 49.0 t -136.56 142.4 38.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 -173.325 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.6 m -136.63 92.78 2.79 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 177.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -63.61 139.67 58.79 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 173.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.7 m -145.41 165.97 26.98 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.683 1.593 . . . . 0.0 108.926 -170.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -144.81 22.29 1.6 Allowed 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.259 -0.901 . . . . 0.0 112.684 174.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.4 m -87.76 62.89 7.21 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 106.89 -1.522 . . . . 0.0 106.89 173.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.8 mt -52.09 144.45 12.16 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.305 1.442 . . . . 0.0 112.837 -158.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -63.22 -36.63 84.28 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.451 1.1 . . . . 0.0 112.033 -173.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.03 11.73 39.8 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 123.925 0.774 . . . . 0.0 112.984 -173.027 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -76.59 167.17 22.3 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.843 1.257 . . . . 0.0 109.532 178.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -128.21 10.28 6.3 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.185 0.994 . . . . 0.0 111.55 -178.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -147.2 166.32 27.37 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 124.698 1.199 . . . . 0.0 109.416 174.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -100.0 153.57 19.09 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 165.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.9 m -138.98 148.69 43.82 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.077 0.853 . . . . 0.0 112.623 -173.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 42.2 mt -90.84 130.69 39.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 N-CA-C 104.571 -2.381 . . . . 0.0 104.571 164.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 97.8 t . . . . . 0 CA--C 1.536 0.427 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 -174.483 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.486 1.329 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 56.2 mt -135.35 172.06 13.55 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 125.347 1.459 . . . . 0.0 108.379 177.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -134.95 148.39 50.02 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 126.324 1.85 . . . . 0.0 107.094 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -142.63 167.68 21.52 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.486 0.66 . . . . 0.0 111.112 162.182 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 25.2 ttt180 -126.03 134.63 51.37 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 104.963 -2.236 . . . . 0.0 104.963 166.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.1 mt -131.6 139.5 50.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 -173.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.9 mm -121.32 142.1 38.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 105.716 -1.957 . . . . 0.0 105.716 177.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.1 t -137.54 146.11 28.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -170.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -140.22 150.83 44.61 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 125.866 1.666 . . . . 0.0 108.993 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 139.17 -156.12 24.29 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.701 -0.959 . . . . 0.0 110.701 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -72.94 87.47 1.33 Allowed 'General case' 0 N--CA 1.462 0.142 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 164.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.7 m -129.32 15.75 2.58 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 124.767 1.227 . . . . 0.0 110.718 178.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.6 mp0 -137.81 161.86 35.47 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 126.389 1.876 . . . . 0.0 107.075 164.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.7 13.25 71.53 Favored Glycine 0 CA--C 1.537 1.407 0 N-CA-C 111.698 -0.561 . . . . 0.0 111.698 -165.166 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.4 m -146.83 154.35 12.09 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 128.055 2.542 . . . . 0.0 105.815 -178.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.37 36.12 2.21 Favored Glycine 0 CA--C 1.528 0.879 0 C-N-CA 123.83 0.729 . . . . 0.0 113.407 -171.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -63.19 -34.31 77.36 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.946 1.373 . . . . 0.0 112.41 -168.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.416 ' NH2' ' H ' ' A' ' 36' ' ' ASN . 56.3 mtt-85 -54.53 -48.69 71.67 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.106 0.866 . . . . 0.0 110.368 173.442 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -67.76 -41.34 83.49 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.347 0.659 . . . . 0.0 110.371 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -56.59 -54.13 49.55 Favored 'General case' 0 C--N 1.341 0.213 0 C-N-CA 123.024 0.53 . . . . 0.0 109.895 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.9 t -60.94 -41.45 88.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 123.5 0.72 . . . . 0.0 109.811 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.418 HE22 ' C ' ' A' ' 87' ' ' SER . 1.7 tp-100 -56.16 -50.12 72.04 Favored 'General case' 0 C--N 1.342 0.262 0 CA-C-N 118.754 0.706 . . . . 0.0 110.789 179.11 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.2 mmt -78.17 -32.81 50.35 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 119.2 -0.428 . . . . 0.0 110.778 -172.04 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -67.18 -31.98 72.76 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.696 0.68 . . . . 0.0 111.315 174.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.12 -45.8 62.91 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 119.026 0.83 . . . . 0.0 110.506 172.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -64.43 -44.23 91.82 Favored 'General case' 0 C--O 1.23 0.07 0 C-N-CA 123.613 0.765 . . . . 0.0 111.517 -174.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -18.29 64.83 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.727 -0.608 . . . . 0.0 112.211 177.129 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -104.37 10.82 35.24 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.649 1.18 . . . . 0.0 111.186 176.073 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.4 mttm 49.56 33.93 6.4 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.927 2.091 . . . . 0.0 113.195 178.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.6 mt -75.38 165.56 24.95 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 171.353 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -134.15 150.42 51.11 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.553 1.141 . . . . 0.0 108.434 172.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 144.24 -150.98 23.06 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -167.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -146.38 166.98 24.72 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 118.436 1.118 . . . . 0.0 113.275 179.111 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.2 p -131.99 140.76 47.2 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 C-N-CA 124.372 1.069 . . . . 0.0 108.146 160.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 44.4 pttt -152.93 150.51 29.34 Favored 'General case' 0 CA--C 1.523 -0.07 0 C-N-CA 124.191 0.996 . . . . 0.0 109.319 175.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.416 ' H ' ' NH2' ' A' ' 18' ' ' ARG . 2.9 p-10 . . . . . 0 C--O 1.232 0.175 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 161.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.201 0 CA-C-O 121.742 0.782 . . . . 0.0 109.43 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.5 t -119.67 148.64 22.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 106.498 -1.667 . . . . 0.0 106.498 173.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -124.71 138.95 54.26 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 125.473 1.509 . . . . 0.0 107.511 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.5 mt -130.88 141.77 45.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 N-CA-C 104.421 -2.437 . . . . 0.0 104.421 176.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.0 tt -142.67 126.94 17.59 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 105.119 -2.178 . . . . 0.0 105.119 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -143.7 152.15 40.95 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 118.656 0.662 . . . . 0.0 110.412 -173.392 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -142.71 144.43 32.69 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 125.993 1.717 . . . . 0.0 108.193 177.399 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 158.47 -164.88 33.72 Favored Glycine 0 CA--C 1.533 1.187 0 CA-C-O 119.657 -0.524 . . . . 0.0 112.444 -175.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -56.21 137.84 81.13 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 124.164 3.243 . . . . 0.0 111.939 173.463 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -59.82 -32.2 70.43 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.243 -0.911 . . . . 0.0 112.644 -175.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -73.39 -27.46 61.48 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.35 -0.844 . . . . 0.0 111.498 176.014 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.83 -40.46 61.04 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 178.151 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.9 mp -58.48 -48.98 78.99 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 118.89 -0.576 . . . . 0.0 110.569 172.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -61.49 -46.48 89.84 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.285 0.948 . . . . 0.0 111.193 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.7 m -55.79 -40.44 72.68 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 121.32 0.581 . . . . 0.0 110.535 175.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -72.64 -30.06 63.99 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-O 117.0 -1.476 . . . . 0.0 111.543 -178.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.7 t -64.18 -44.28 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 121.652 2.023 . . . . 0.0 108.583 168.027 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -59.99 -34.0 72.72 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.246 0.93 . . . . 0.0 111.171 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.34 -56.0 10.07 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 122.866 0.466 . . . . 0.0 111.375 170.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.1 t -60.55 -42.3 90.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 124.755 1.222 . . . . 0.0 111.16 -172.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -64.54 -21.73 66.77 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.759 0.709 . . . . 0.0 112.364 -175.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -71.47 -28.84 64.22 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.602 0.637 . . . . 0.0 111.366 173.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.9 -176.94 35.71 Favored Glycine 0 CA--C 1.534 1.23 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 -155.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.82 157.17 61.56 Favored Pre-proline 0 CA--C 1.541 0.631 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 158.434 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -46.21 -34.9 14.4 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 123.436 2.757 . . . . 0.0 114.461 168.058 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -79.17 -26.92 42.66 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.752 0.821 . . . . 0.0 112.761 176.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.0 m -71.23 173.18 8.05 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.599 1.159 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -145.56 99.07 3.23 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 106.088 -1.819 . . . . 0.0 106.088 167.183 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 67.8 t -65.22 135.14 28.77 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 167.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.1 p -120.01 -18.88 8.04 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.812 0.845 . . . . 0.0 110.774 175.007 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -153.8 149.52 27.5 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 124.503 1.121 . . . . 0.0 109.059 170.145 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.1 tt -147.36 145.21 19.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 125.504 1.522 . . . . 0.0 107.733 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 67.4 m -136.7 149.93 48.17 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 126.188 1.795 . . . . 0.0 108.229 -178.145 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.9 t -140.77 145.02 26.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 124.186 0.994 . . . . 0.0 108.679 -171.125 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.1 m -134.55 119.77 18.84 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 105.584 -2.006 . . . . 0.0 105.584 165.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -103.11 154.64 19.08 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 123.885 0.874 . . . . 0.0 109.362 177.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.1 m -164.73 175.19 9.92 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.334 1.454 . . . . 0.0 109.918 -171.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -122.33 23.9 9.57 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.469 1.108 . . . . 0.0 109.761 170.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.7 m -82.47 70.0 9.34 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 125.721 1.608 . . . . 0.0 107.027 175.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 23.2 mt -63.45 138.01 58.36 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.23 -165.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -74.01 -39.0 63.9 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 122.993 0.517 . . . . 0.0 111.63 -172.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 62.17 27.71 69.51 Favored Glycine 0 CA--C 1.536 1.363 0 N-CA-C 111.729 -0.548 . . . . 0.0 111.729 -167.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -65.78 146.31 54.93 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 117.881 0.84 . . . . 0.0 109.535 -176.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -70.79 -29.11 65.2 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -172.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -158.48 177.71 10.94 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 126.157 1.783 . . . . 0.0 108.328 -175.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -86.37 141.08 29.45 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 160.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.418 ' C ' HE22 ' A' ' 22' ' ' GLN . 45.3 m -134.24 152.74 51.98 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 119.616 1.098 . . . . 0.0 112.431 -170.445 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 26.0 mt -94.59 125.36 47.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 104.403 -2.443 . . . . 0.0 104.403 167.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 73.5 t . . . . . 0 CA--C 1.537 0.449 0 C-N-CA 123.915 0.886 . . . . 0.0 108.752 -169.103 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 mmt . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.83 0.348 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -142.08 175.16 9.96 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 125.737 1.615 . . . . 0.0 108.083 177.441 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -152.75 149.98 28.93 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 123.335 0.654 . . . . 0.0 109.385 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -144.59 169.83 17.22 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 123.438 0.695 . . . . 0.0 111.181 169.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -128.33 137.41 51.92 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 105.769 -1.938 . . . . 0.0 105.769 168.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.7 mt -134.22 136.68 52.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 -177.138 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.6 mp -117.55 140.12 41.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 N-CA-C 104.961 -2.237 . . . . 0.0 104.961 176.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.7 t -136.85 139.38 44.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 N-CA-C 107.316 -1.365 . . . . 0.0 107.316 -170.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -141.27 152.93 44.92 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 125.108 1.363 . . . . 0.0 109.442 -176.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.95 -156.81 22.71 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 109.419 -1.472 . . . . 0.0 109.419 -174.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -72.07 82.56 0.97 Allowed 'General case' 0 C--O 1.227 -0.129 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 164.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.5 m -132.48 -14.73 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 124.774 1.23 . . . . 0.0 111.014 173.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -98.53 -28.05 13.76 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 121.182 -0.949 . . . . 0.0 111.274 -178.193 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.48 11.29 61.69 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 124.144 0.878 . . . . 0.0 112.457 176.135 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.0 m -141.92 163.72 19.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 C-N-CA 127.213 2.205 . . . . 0.0 106.808 -177.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.51 35.55 2.02 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 124.121 0.867 . . . . 0.0 113.617 -173.324 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -56.1 -37.14 68.97 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 118.941 1.371 . . . . 0.0 112.257 -171.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.4 mtm-85 -58.86 -35.41 72.92 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.213 -0.929 . . . . 0.0 111.396 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -72.5 -39.71 67.42 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.539 0.609 . . . . 0.0 110.626 175.249 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -57.0 -50.06 73.88 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.843 0.747 . . . . 0.0 109.711 175.046 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.2 t -58.48 -43.0 85.9 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 123.894 0.878 . . . . 0.0 109.848 177.161 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.409 HE22 ' C ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -56.38 -51.18 69.29 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-N 119.444 1.02 . . . . 0.0 110.611 178.125 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 77.1 mtm -70.67 -37.85 73.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 119.516 -0.278 . . . . 0.0 110.589 -173.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -68.3 -33.0 73.54 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.328 0.513 . . . . 0.0 111.573 178.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.38 -44.17 68.58 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 118.75 0.705 . . . . 0.0 110.561 173.403 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -65.39 -45.01 85.71 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 123.838 0.855 . . . . 0.0 111.357 -175.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -15.84 62.8 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 121.729 -0.607 . . . . 0.0 112.452 176.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -107.18 12.0 28.82 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.776 1.23 . . . . 0.0 111.155 175.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt 49.66 34.74 7.61 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.937 2.095 . . . . 0.0 113.367 177.09 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.1 mt -75.46 168.15 20.55 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 121.909 -0.494 . . . . 0.0 109.726 172.061 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -137.67 151.88 48.72 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 124.414 1.085 . . . . 0.0 109.145 173.084 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 140.88 -149.01 20.67 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -173.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 3.7 p90 -137.28 163.08 31.8 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -178.516 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.1 p -131.75 139.46 50.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 N-CA-C 106.333 -1.728 . . . . 0.0 106.333 159.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -153.29 162.08 41.68 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 122.951 0.5 . . . . 0.0 112.064 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.9 t30 . . . . . 0 C--O 1.234 0.257 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 159.682 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? . . . . . 0 N--CA 1.464 0.233 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.2 t -96.3 145.6 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 106.391 -1.707 . . . . 0.0 106.391 166.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -128.18 141.82 51.36 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 125.857 1.663 . . . . 0.0 107.223 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 27.8 mt -131.66 140.75 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 N-CA-C 104.32 -2.474 . . . . 0.0 104.32 -177.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.8 tt -144.18 119.96 10.54 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 105.523 -2.029 . . . . 0.0 105.523 174.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -141.05 141.97 34.23 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 121.284 0.564 . . . . 0.0 111.021 -173.165 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -110.68 144.4 39.67 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 128.191 2.596 . . . . 0.0 107.359 174.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 169.85 -174.43 44.05 Favored Glycine 0 CA--C 1.527 0.812 0 CA-C-O 119.615 -0.547 . . . . 0.0 112.461 172.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -69.89 153.88 67.84 Favored 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 122.282 1.988 . . . . 0.0 110.108 172.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -57.65 -46.94 83.55 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.548 0.739 . . . . 0.0 111.62 -168.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -74.0 -29.19 61.83 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 119.18 0.9 . . . . 0.0 112.42 -174.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.89 -45.23 90.28 Favored 'General case' 0 CA--C 1.527 0.091 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 171.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 51.7 mt -62.65 -42.79 99.8 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 118.421 -0.8 . . . . 0.0 110.832 177.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -57.89 -49.76 75.63 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 119.885 1.22 . . . . 0.0 110.411 175.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.2 m -56.51 -40.2 74.6 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.064 0.546 . . . . 0.0 110.105 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -70.6 -32.43 69.8 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-O 117.17 -1.395 . . . . 0.0 111.507 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.69 -45.07 99.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-N 121.597 1.998 . . . . 0.0 109.02 169.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -59.36 -38.3 80.08 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.924 0.784 . . . . 0.0 110.565 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.54 -50.97 61.4 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.054 0.542 . . . . 0.0 111.335 173.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.7 t -64.16 -44.06 97.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 124.176 0.99 . . . . 0.0 110.823 -173.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.1 pttt -65.41 -24.34 67.18 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 119.118 0.872 . . . . 0.0 112.307 -175.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -67.79 -27.55 66.84 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.338 0.517 . . . . 0.0 111.389 173.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.37 -175.65 36.07 Favored Glycine 0 CA--C 1.534 1.233 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 -155.296 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 91.1 p -66.14 161.59 54.9 Favored Pre-proline 0 CA--C 1.539 0.528 0 O-C-N 121.054 -1.262 . . . . 0.0 108.355 161.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_exo -46.95 -27.16 5.55 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 123.458 2.772 . . . . 0.0 114.62 163.084 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -85.29 -24.25 27.79 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.64 0.776 . . . . 0.0 111.937 177.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.9 m -73.32 171.66 12.64 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.832 0.853 . . . . 0.0 112.257 -176.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -141.79 98.47 3.35 Favored 'General case' 0 C--N 1.334 -0.073 0 N-CA-C 105.704 -1.961 . . . . 0.0 105.704 159.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.4 t -64.71 135.68 27.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 107.1 -1.444 . . . . 0.0 107.1 169.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.5 p -120.28 -17.81 8.15 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.883 0.873 . . . . 0.0 110.926 174.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -153.26 146.93 25.11 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.317 1.047 . . . . 0.0 109.14 171.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.0 tt -147.41 142.55 19.94 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 125.463 1.505 . . . . 0.0 107.519 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.2 m -138.71 154.62 48.59 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 125.498 1.519 . . . . 0.0 108.819 -178.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 50.8 t -137.0 146.14 28.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 C-N-CA 124.265 1.026 . . . . 0.0 109.099 -169.4 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -134.34 153.1 52.07 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 127.602 2.361 . . . . 0.0 105.568 171.231 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -127.2 152.45 47.35 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.662 1.119 . . . . 0.0 108.882 -177.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.1 p -148.26 165.65 30.35 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.967 0.907 . . . . 0.0 110.189 -177.093 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 49.0 mtm105 -136.37 47.4 2.2 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 105.953 -1.869 . . . . 0.0 105.953 176.452 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.7 m -134.66 36.96 3.11 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.401 -152.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.6 mp -24.17 109.88 0.03 OUTLIER 'General case' 0 C--O 1.235 0.327 0 C-N-CA 129.977 3.311 . . . . 0.0 112.79 -170.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -56.8 -33.31 66.56 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.505 1.122 . . . . 0.0 111.331 176.349 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 61.24 28.06 68.56 Favored Glycine 0 CA--C 1.532 1.129 0 C-N-CA 124.174 0.892 . . . . 0.0 111.95 -174.121 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -65.96 150.72 48.19 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.535 0.734 . . . . 0.0 110.254 -174.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -67.84 -30.22 69.55 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.37 0.508 . . . . 0.0 112.37 -174.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -159.34 -175.24 5.1 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 126.108 1.763 . . . . 0.0 107.906 -177.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -93.43 129.47 39.59 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 117.371 -1.3 . . . . 0.0 107.563 164.376 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.409 ' C ' HE22 ' A' ' 22' ' ' GLN . 27.1 m -132.57 143.85 49.99 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 120.113 1.324 . . . . 0.0 113.043 -170.469 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 8.9 mt -80.3 137.08 22.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 N-CA-C 105.577 -2.009 . . . . 0.0 105.577 168.428 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 47.5 t . . . . . 0 CA--C 1.534 0.341 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 -178.54 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 mmt . . . . . 0 N--CA 1.485 1.321 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 59.8 mt -137.18 177.06 8.16 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 125.232 1.413 . . . . 0.0 108.374 175.412 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -139.33 153.03 47.65 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 125.479 1.511 . . . . 0.0 108.05 175.339 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -141.18 166.29 25.19 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 122.796 0.438 . . . . 0.0 110.61 161.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.5 ttm-85 -121.75 139.34 53.71 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 105.73 -1.952 . . . . 0.0 105.73 163.042 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.3 mt -132.98 136.81 54.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 105.963 -1.866 . . . . 0.0 105.963 -177.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.1 mm -110.66 141.24 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 174.481 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.8 t -136.54 137.24 47.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 -175.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -139.18 152.23 47.22 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 125.141 1.376 . . . . 0.0 108.68 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 138.91 -156.39 24.29 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 -174.081 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -74.2 77.26 1.79 Allowed 'General case' 0 C--O 1.232 0.157 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 167.353 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.7 m -134.82 -0.31 1.14 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 124.468 1.107 . . . . 0.0 111.387 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -124.58 -23.93 4.3 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.991 0.916 . . . . 0.0 111.849 -174.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.17 5.38 77.0 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 123.593 0.616 . . . . 0.0 111.972 166.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.9 m -142.91 161.91 17.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 C-N-CA 127.023 2.129 . . . . 0.0 107.424 -176.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.47 41.46 2.68 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 124.63 1.11 . . . . 0.0 113.627 -171.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -52.65 -37.81 59.22 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 118.872 1.336 . . . . 0.0 112.19 -174.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.4 mtm-85 -53.83 -37.16 63.3 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.519 0.728 . . . . 0.0 111.805 177.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -69.49 -43.2 73.65 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 119.255 0.934 . . . . 0.0 110.709 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -59.87 -46.26 89.88 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-N 118.716 0.689 . . . . 0.0 110.103 177.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.4 t -59.29 -43.74 90.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 123.063 0.545 . . . . 0.0 109.938 175.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -56.14 -47.71 77.65 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 118.717 0.69 . . . . 0.0 110.689 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 36.7 mmt -74.05 -36.24 64.35 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 122.456 0.302 . . . . 0.0 110.626 -173.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -68.96 -30.43 68.87 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.463 0.574 . . . . 0.0 111.656 176.25 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.42 -43.76 63.39 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 118.975 0.807 . . . . 0.0 110.369 172.265 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -64.73 -40.93 96.16 Favored 'General case' 0 C--O 1.229 0.021 0 C-N-CA 123.821 0.848 . . . . 0.0 111.565 -176.406 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -15.82 63.94 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.171 0.896 . . . . 0.0 112.547 176.816 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.7 mmm-85 -100.8 0.14 38.16 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.02 0.928 . . . . 0.0 111.917 170.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt 42.3 43.43 2.96 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.279 1.832 . . . . 0.0 112.136 -169.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.58 166.83 14.15 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 164.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -132.51 152.22 51.64 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 123.957 0.903 . . . . 0.0 108.922 175.398 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 137.88 -153.49 22.23 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.652 -0.579 . . . . 0.0 111.652 -169.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.0 p90 -138.47 163.75 31.14 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 117.945 0.872 . . . . 0.0 112.446 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.3 p -128.1 143.24 41.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 154.612 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -153.19 161.6 42.25 Favored 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 123.094 0.558 . . . . 0.0 111.97 -176.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.4 t30 . . . . . 0 C--O 1.234 0.241 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 156.865 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? . . . . . 0 C--O 1.234 0.252 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.0 t -95.62 144.76 9.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 105.619 -1.993 . . . . 0.0 105.619 166.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -123.11 137.7 54.85 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 106.944 -1.502 . . . . 0.0 106.944 172.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.6 mt -119.92 142.07 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.675 0 N-CA-C 104.213 -2.514 . . . . 0.0 104.213 173.461 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.7 tt -142.95 121.92 12.8 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 104.97 -2.233 . . . . 0.0 104.97 173.34 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -138.76 148.38 43.79 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.039 0.535 . . . . 0.0 109.805 -175.252 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -124.39 153.25 42.16 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 125.525 1.53 . . . . 0.0 108.78 169.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.67 -170.21 36.55 Favored Glycine 0 CA--C 1.528 0.903 0 CA-C-O 119.758 -0.468 . . . . 0.0 112.543 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -56.48 149.32 57.77 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 124.022 3.148 . . . . 0.0 111.639 170.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -59.71 -44.57 93.64 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.1 0.56 . . . . 0.0 110.869 -179.306 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -62.64 -42.8 99.8 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 118.507 0.594 . . . . 0.0 111.275 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.32 -45.34 88.32 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 122.685 0.394 . . . . 0.0 110.084 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.0 mt -62.81 -47.12 84.82 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.378 0.671 . . . . 0.0 110.571 178.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -61.22 -45.32 95.06 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.287 0.949 . . . . 0.0 110.552 179.142 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.6 m -59.7 -36.66 76.96 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.585 0.354 . . . . 0.0 110.723 176.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -71.58 -32.15 67.75 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 117.807 -1.092 . . . . 0.0 111.411 178.025 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.2 t -62.46 -44.67 99.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-N 120.944 1.702 . . . . 0.0 109.153 168.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -61.0 -35.06 75.85 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 118.53 0.604 . . . . 0.0 111.193 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.49 -53.98 34.84 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.994 0.518 . . . . 0.0 110.709 171.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 38.3 t -60.52 -42.93 93.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 124.146 0.979 . . . . 0.0 111.03 -174.229 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -67.03 -14.47 62.93 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.188 0.903 . . . . 0.0 112.852 -177.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -64.15 -27.83 69.35 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 119.469 1.031 . . . . 0.0 111.178 170.516 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.83 -128.65 8.97 Favored Glycine 0 C--N 1.336 0.537 0 N-CA-C 105.461 -3.055 . . . . 0.0 105.461 -151.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 68.0 m -154.32 169.23 10.4 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 172.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_exo -47.49 -22.69 2.92 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 123.591 2.861 . . . . 0.0 115.071 170.338 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -134.74 32.91 3.24 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.187 1.395 . . . . 0.0 111.105 176.346 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.7 m -151.34 150.84 30.96 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 120.321 -1.487 . . . . 0.0 110.151 172.36 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -133.97 103.23 5.73 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 -177.005 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.5 p -61.63 138.12 22.68 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 161.605 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.8 p -123.77 -13.73 7.37 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.24 1.016 . . . . 0.0 110.798 170.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -151.45 144.15 24.36 Favored 'General case' 0 C--N 1.342 0.241 0 C-N-CA 124.605 1.162 . . . . 0.0 109.271 171.356 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 19.2 tt -143.57 146.33 21.3 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 125.2 1.4 . . . . 0.0 108.32 -176.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.9 m -139.11 151.65 46.86 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 125.516 1.526 . . . . 0.0 108.33 177.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 50.3 t -140.82 145.47 25.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 124.267 1.027 . . . . 0.0 109.059 -172.396 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.3 m -134.96 129.74 34.7 Favored 'General case' 0 CA--C 1.528 0.127 0 N-CA-C 105.805 -1.924 . . . . 0.0 105.805 160.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.09 149.09 26.14 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 172.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.78 137.35 25.04 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 -163.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.5 51.2 2.05 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 174.237 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.8 m -143.43 82.7 1.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 125.023 1.329 . . . . 0.0 108.092 -158.463 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.0 mp -62.78 145.86 53.89 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.21 0.604 . . . . 0.0 109.885 -179.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -84.81 -24.89 28.47 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.703 1.201 . . . . 0.0 110.831 171.594 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 64.54 29.31 74.8 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 123.911 0.767 . . . . 0.0 112.629 -177.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.77 168.85 17.94 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.011 0.905 . . . . 0.0 109.696 171.062 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 58.9 m80 -125.99 0.55 7.26 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.172 0.989 . . . . 0.0 112.211 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -150.08 168.94 22.45 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 125.481 1.512 . . . . 0.0 108.435 172.228 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -91.78 148.29 22.35 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 162.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.1 m -137.95 159.2 42.64 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 118.993 0.815 . . . . 0.0 111.79 -172.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 24.3 mt -104.34 134.15 46.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 104.359 -2.46 . . . . 0.0 104.359 166.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 52.0 t . . . . . 0 CA--C 1.533 0.289 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 -175.613 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.9 mtt . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 121.095 0.474 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 63.9 tp -135.17 166.74 22.39 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.33 1.852 . . . . 0.0 107.591 -173.49 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -139.05 151.59 46.89 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 124.643 1.177 . . . . 0.0 108.429 177.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -141.23 167.18 22.81 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.356 0.598 . . . . 0.0 110.988 165.098 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.7 ttt180 -126.91 134.67 50.4 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 105.42 -2.067 . . . . 0.0 105.42 168.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.4 mt -132.81 141.84 43.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 106.487 -1.671 . . . . 0.0 106.487 -176.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.6 mm -122.01 142.55 37.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 105.527 -2.027 . . . . 0.0 105.527 174.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.1 t -131.2 121.56 49.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 -177.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -99.61 135.85 40.42 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 126.166 1.786 . . . . 0.0 107.093 174.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.49 -174.28 38.86 Favored Glycine 0 C--N 1.334 0.447 0 CA-C-N 118.434 0.561 . . . . 0.0 113.003 -179.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -70.17 100.89 1.75 Allowed 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 104.979 -2.23 . . . . 0.0 104.979 153.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.3 m -141.89 -29.01 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -178.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -79.58 -51.84 8.77 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 120.803 -1.186 . . . . 0.0 111.207 -170.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.76 -32.07 70.42 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.82 -0.512 . . . . 0.0 111.82 -175.417 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.2 m -73.66 -6.68 8.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 124.581 1.152 . . . . 0.0 112.182 174.355 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.65 35.29 62.52 Favored Glycine 0 C--N 1.34 0.778 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.259 174.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -49.68 -39.32 36.2 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 118.48 1.14 . . . . 0.0 111.6 -179.465 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.2 ptt-85 -50.21 -33.62 20.05 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 177.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -72.38 -41.0 66.82 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 119.9 1.227 . . . . 0.0 110.149 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -61.18 -46.58 89.89 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 174.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.4 t -57.83 -43.96 85.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 123.295 0.638 . . . . 0.0 109.893 176.002 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -56.8 -49.94 73.84 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-N 118.612 0.642 . . . . 0.0 110.393 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 64.9 mtt -70.38 -37.96 74.65 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.735 -0.212 . . . . 0.0 110.509 -174.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -68.94 -32.75 72.58 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.213 0.46 . . . . 0.0 111.618 178.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.6 -45.07 69.44 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 118.836 0.744 . . . . 0.0 110.33 172.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -64.22 -45.48 88.04 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 123.836 0.855 . . . . 0.0 111.329 -175.18 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -21.39 66.54 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 118.558 0.617 . . . . 0.0 112.213 177.488 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.0 tpt85 -100.33 8.78 43.46 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.212 1.005 . . . . 0.0 111.388 176.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.4 mttt 49.01 35.07 6.25 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.741 2.016 . . . . 0.0 113.155 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.7 mt -73.4 165.42 25.11 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 170.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -134.09 148.11 50.97 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.196 0.998 . . . . 0.0 109.155 176.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 139.17 -151.46 21.82 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 -168.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 16.6 p90 -142.38 166.34 24.94 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 118.148 0.974 . . . . 0.0 112.995 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.1 p -129.17 147.17 33.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 159.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -147.7 155.73 42.04 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.813 0.845 . . . . 0.0 111.073 -177.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 . . . . . 0 C--O 1.237 0.433 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 161.736 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 . . . . . 0 C--O 1.237 0.414 0 CA-C-O 122.153 0.978 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.1 t -116.55 148.83 19.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 105.067 -2.197 . . . . 0.0 105.067 162.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -131.87 140.72 49.19 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 -177.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.5 mt -135.03 140.28 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 N-CA-C 104.417 -2.438 . . . . 0.0 104.417 -169.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.9 tt -145.47 119.82 9.61 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 105.156 -2.165 . . . . 0.0 105.156 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -140.85 146.74 37.93 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 122.867 0.467 . . . . 0.0 110.311 -170.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -123.94 142.06 51.48 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 127.497 2.319 . . . . 0.0 106.898 176.187 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 171.27 -171.75 44.12 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.764 -0.534 . . . . 0.0 111.764 176.289 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -69.31 151.03 71.64 Favored 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 122.31 2.007 . . . . 0.0 109.726 169.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -59.42 -38.57 80.98 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.407 0.683 . . . . 0.0 111.522 -173.255 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -63.9 -43.88 94.67 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.075 0.852 . . . . 0.0 111.69 -178.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.0 -44.52 92.41 Favored 'General case' 0 C--N 1.339 0.126 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 176.309 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.1 mt -62.28 -45.48 93.07 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 118.868 -0.587 . . . . 0.0 110.843 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -63.86 -43.65 95.47 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 119.754 1.161 . . . . 0.0 110.713 178.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.6 m -57.57 -39.59 77.08 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.201 0.524 . . . . 0.0 110.383 174.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -70.33 -31.34 68.6 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 117.249 -1.358 . . . . 0.0 111.577 178.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.3 t -62.3 -45.22 99.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 121.448 1.931 . . . . 0.0 108.828 168.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -60.85 -35.72 77.3 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.732 0.696 . . . . 0.0 111.061 -179.134 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.28 -51.72 54.61 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.204 0.457 . . . . 0.0 111.345 171.071 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.1 t -63.47 -42.64 96.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 124.342 1.057 . . . . 0.0 111.106 -172.506 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -64.08 -18.83 64.76 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 119.288 0.949 . . . . 0.0 112.835 -175.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -67.42 -27.43 67.06 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.651 0.659 . . . . 0.0 111.77 173.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.22 -172.9 33.31 Favored Glycine 0 CA--C 1.534 1.264 0 N-CA-C 109.295 -1.522 . . . . 0.0 109.295 -154.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 80.1 p -67.42 162.16 58.56 Favored Pre-proline 0 CA--C 1.539 0.551 0 O-C-N 120.766 -1.432 . . . . 0.0 108.251 160.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.3 -2.39 1.3 Allowed 'Trans proline' 0 CA--C 1.546 1.084 0 C-N-CA 123.163 2.575 . . . . 0.0 114.546 167.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -113.84 -11.51 12.85 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.98 1.312 . . . . 0.0 111.675 174.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.6 m -72.99 171.16 13.35 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.79 0.836 . . . . 0.0 111.335 177.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -139.08 94.52 2.82 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 105.467 -2.049 . . . . 0.0 105.467 165.474 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.4 t -64.96 133.5 30.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 172.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.2 p -116.82 -20.32 9.51 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.803 1.241 . . . . 0.0 111.01 176.25 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -159.08 160.78 36.15 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 119.29 0.95 . . . . 0.0 109.429 164.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.8 tt -142.92 145.87 22.45 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 C-N-CA 125.365 1.466 . . . . 0.0 108.042 177.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.5 m -138.0 146.75 43.48 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 125.494 1.518 . . . . 0.0 108.186 -174.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.1 t -140.77 145.41 25.52 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 C-N-CA 124.144 0.978 . . . . 0.0 109.107 -172.453 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.3 m -132.97 139.27 47.2 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 105.62 -1.992 . . . . 0.0 105.62 162.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -119.26 142.02 48.44 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.71 134.0 20.63 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 -164.512 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 97.1 mtt-85 -86.44 53.99 3.0 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 168.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.8 m -138.18 96.17 3.14 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 -165.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.31 144.78 49.83 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -173.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -87.0 -19.63 28.42 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.705 1.202 . . . . 0.0 110.722 169.21 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 65.12 16.26 61.91 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.461 1.029 . . . . 0.0 112.903 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -72.32 162.97 28.74 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.119 0.968 . . . . 0.0 110.174 178.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -131.64 9.93 4.69 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.491 1.116 . . . . 0.0 111.451 -179.182 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -148.37 165.24 31.67 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 125.283 1.433 . . . . 0.0 108.114 174.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -96.45 150.75 20.26 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 162.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 55.0 m -137.53 161.35 36.62 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.648 0.779 . . . . 0.0 111.621 -175.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 30.5 mt -109.66 136.52 45.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 N-CA-C 105.114 -2.18 . . . . 0.0 105.114 166.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 95.5 t . . . . . 0 CA--C 1.537 0.463 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 -172.963 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 80.7 mmm . . . . . 0 N--CA 1.482 1.128 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 62.2 tp -150.8 166.64 29.89 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.163 1.385 . . . . 0.0 108.394 -169.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -137.04 151.73 49.27 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.856 1.263 . . . . 0.0 107.962 176.573 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -140.57 164.28 30.59 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.134 0.493 . . . . 0.0 110.699 161.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.4 ttm-85 -115.11 140.29 49.19 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 105.554 -2.017 . . . . 0.0 105.554 160.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.8 mt -131.65 137.33 55.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 23.0 mm -113.57 141.6 28.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 105.358 -2.09 . . . . 0.0 105.358 175.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.7 t -136.82 139.62 44.41 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 -177.034 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -141.02 153.67 45.64 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 125.092 1.357 . . . . 0.0 109.657 -174.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.75 -156.34 22.06 Favored Glycine 0 CA--C 1.523 0.575 0 C-N-CA 125.586 1.565 . . . . 0.0 109.442 -175.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.5 ttt85 -72.1 83.6 0.99 Allowed 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 162.049 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.6 m -135.87 9.63 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 123.301 0.64 . . . . 0.0 112.235 -173.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -133.28 152.68 51.94 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 169.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.18 18.56 79.29 Favored Glycine 0 CA--C 1.535 1.288 0 CA-C-O 119.582 -0.565 . . . . 0.0 112.765 -171.144 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.2 m -137.08 23.59 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 C-N-CA 125.39 1.476 . . . . 0.0 110.89 -172.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 70.87 5.26 57.19 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 124.319 0.961 . . . . 0.0 114.161 175.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -61.83 -36.15 80.33 Favored 'General case' 0 C--N 1.339 0.118 0 CA-C-N 119.04 1.42 . . . . 0.0 112.531 -168.229 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -58.7 -40.39 83.51 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.55 1.068 . . . . 0.0 110.962 177.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -72.2 -37.56 69.24 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-O 118.913 -0.565 . . . . 0.0 110.616 177.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -57.41 -51.84 67.78 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.997 0.817 . . . . 0.0 109.728 175.237 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.2 t -58.76 -42.7 86.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 123.969 0.908 . . . . 0.0 109.671 177.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.402 HE22 ' C ' ' A' ' 87' ' ' SER . 1.2 tp-100 -56.73 -50.33 72.53 Favored 'General case' 0 C--N 1.342 0.252 0 CA-C-N 119.007 0.821 . . . . 0.0 111.097 179.275 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.0 mmt -73.62 -36.23 65.43 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 -172.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -68.59 -30.49 69.25 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 119.029 -0.51 . . . . 0.0 111.57 176.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.37 -43.88 63.35 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 118.955 0.798 . . . . 0.0 110.631 172.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -65.3 -45.48 84.2 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 123.917 0.887 . . . . 0.0 111.352 -175.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -14.94 54.76 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 118.535 0.607 . . . . 0.0 112.602 176.019 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.8 tpt85 -110.94 12.35 22.19 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.833 1.253 . . . . 0.0 111.071 178.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt 51.24 31.7 7.21 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.526 1.93 . . . . 0.0 113.236 176.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.9 mt -76.08 167.36 22.01 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.716 -0.615 . . . . 0.0 109.786 174.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.51 152.78 50.9 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 124.58 1.152 . . . . 0.0 109.019 171.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 141.28 -155.93 25.4 Favored Glycine 0 CA--C 1.532 1.108 0 CA-C-O 119.415 -0.658 . . . . 0.0 111.616 -166.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.7 p90 -140.19 164.07 31.04 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 118.544 1.172 . . . . 0.0 113.135 -177.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.7 p -132.92 137.91 52.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 C-N-CA 124.028 0.931 . . . . 0.0 108.799 159.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -161.62 174.58 13.11 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.839 1.256 . . . . 0.0 111.545 -173.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 44.6 t30 . . . . . 0 CA--C 1.537 0.462 0 O-C-N 121.634 -0.666 . . . . 0.0 110.226 164.466 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? . . . . . 0 C--O 1.233 0.197 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.9 t -92.4 146.29 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 168.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -125.92 135.6 52.08 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 174.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.5 mt -124.31 142.14 42.11 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 N-CA-C 103.865 -2.643 . . . . 0.0 103.865 176.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.8 tt -143.82 123.73 13.51 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 105.194 -2.15 . . . . 0.0 105.194 176.047 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -142.96 148.93 37.67 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 118.614 0.643 . . . . 0.0 110.601 -173.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -127.06 143.66 51.23 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 126.674 1.99 . . . . 0.0 107.983 177.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 170.93 -171.68 43.97 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 123.725 0.678 . . . . 0.0 111.549 175.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -54.9 145.18 63.59 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 123.042 2.495 . . . . 0.0 110.777 166.515 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -59.17 -40.7 86.45 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 122.076 -0.39 . . . . 0.0 110.941 -177.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -64.36 -43.65 93.87 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 121.821 -0.549 . . . . 0.0 111.208 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.13 -44.44 94.93 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 123.104 0.562 . . . . 0.0 110.255 176.222 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.9 mt -64.17 -38.73 92.11 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 118.225 -0.893 . . . . 0.0 111.121 177.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -63.22 -45.55 91.12 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 120.293 1.406 . . . . 0.0 110.913 176.233 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.1 m -56.07 -38.51 70.74 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.703 0.683 . . . . 0.0 110.646 173.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -71.52 -31.46 67.08 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-O 117.405 -1.283 . . . . 0.0 111.928 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.9 t -63.65 -44.23 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 121.438 1.927 . . . . 0.0 108.599 169.049 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -60.41 -34.09 73.44 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.776 0.716 . . . . 0.0 111.393 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.23 -54.47 17.49 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.076 0.551 . . . . 0.0 111.219 171.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 28.8 t -61.67 -41.57 90.93 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 C-N-CA 124.346 1.058 . . . . 0.0 110.675 -172.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -64.58 -15.48 61.13 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -177.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -69.88 -27.5 64.86 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 119.244 0.929 . . . . 0.0 111.813 172.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.73 -175.38 30.67 Favored Glycine 0 CA--C 1.536 1.37 0 N-CA-C 109.413 -1.475 . . . . 0.0 109.413 -154.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.6 p -68.84 162.16 66.2 Favored Pre-proline 0 CA--C 1.538 0.502 0 O-C-N 120.896 -1.355 . . . . 0.0 108.524 163.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -48.73 -12.47 0.2 Allowed 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 124.315 3.343 . . . . 0.0 115.782 161.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -113.82 -7.07 13.24 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.992 1.317 . . . . 0.0 111.784 -178.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.2 m -81.03 171.68 14.67 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.687 1.195 . . . . 0.0 111.604 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -139.86 88.65 2.25 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 105.444 -2.058 . . . . 0.0 105.444 155.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.1 p -59.78 136.02 23.8 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 165.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.4 p -119.97 -16.55 8.62 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.358 1.063 . . . . 0.0 110.798 177.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -154.51 146.44 23.52 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 124.139 0.976 . . . . 0.0 109.612 174.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.2 tt -145.69 145.45 20.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 C-N-CA 125.873 1.669 . . . . 0.0 107.9 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.8 m -140.2 150.56 44.31 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 125.724 1.61 . . . . 0.0 108.523 -176.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.5 t -138.8 143.2 32.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 C-N-CA 124.308 1.043 . . . . 0.0 108.726 -171.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.2 m -139.09 112.15 7.97 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 106.581 -1.636 . . . . 0.0 106.581 172.246 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -75.2 157.01 35.21 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 121.758 -0.589 . . . . 0.0 109.588 171.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.9 m -162.79 175.31 11.41 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.055 1.742 . . . . 0.0 109.178 178.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -127.91 25.58 5.93 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.074 0.949 . . . . 0.0 110.476 174.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.6 m -86.12 74.77 10.01 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 176.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 26.5 mt -63.67 124.78 22.3 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.383 -160.078 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -78.17 65.91 3.65 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.456 1.502 . . . . 0.0 108.353 165.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -69.31 12.26 1.32 Allowed Glycine 0 CA--C 1.537 1.464 0 C-N-CA 125.471 1.51 . . . . 0.0 113.447 175.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -52.75 159.76 1.04 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.121 1.768 . . . . 0.0 112.178 170.19 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 -69.49 -27.49 65.26 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.807 0.843 . . . . 0.0 113.268 -172.072 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -147.15 167.29 24.52 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 118.985 0.811 . . . . 0.0 111.449 -170.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -86.32 148.3 25.67 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 162.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.402 ' C ' HE22 ' A' ' 22' ' ' GLN . 50.2 m -138.58 158.7 43.76 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.072 0.851 . . . . 0.0 112.004 -170.147 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.4 mt -105.39 143.83 15.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 105.238 -2.134 . . . . 0.0 105.238 169.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.328 -0.331 0 N-CA-C 103.836 -2.653 . . . . 0.0 103.836 161.491 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.485 1.287 0 CA-C-O 120.962 0.41 . . . . 0.0 110.112 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 25.1 tp -134.82 176.45 8.64 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 126.026 1.73 . . . . 0.0 107.441 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -145.62 157.88 43.92 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.953 1.301 . . . . 0.0 108.548 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -146.12 168.85 19.95 Favored 'General case' 0 C--O 1.235 0.338 0 O-C-N 121.768 -0.582 . . . . 0.0 110.429 162.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -125.43 138.04 54.01 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 105.553 -2.017 . . . . 0.0 105.553 165.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.8 mt -133.63 138.5 50.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 106.284 -1.747 . . . . 0.0 106.284 -174.341 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.6 mm -116.2 139.66 41.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 105.23 -2.137 . . . . 0.0 105.23 173.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.6 t -132.55 136.11 56.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 -176.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -135.04 147.87 49.75 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 125.116 1.366 . . . . 0.0 108.668 -172.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.78 -156.82 22.68 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 -175.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -73.93 88.96 1.86 Allowed 'General case' 0 C--O 1.23 0.072 0 N-CA-C 106.83 -1.545 . . . . 0.0 106.83 165.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.6 m -130.48 11.26 2.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 124.74 1.216 . . . . 0.0 110.588 175.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -131.2 161.3 32.51 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 126.39 1.876 . . . . 0.0 106.869 169.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 60.87 20.66 57.62 Favored Glycine 0 CA--C 1.535 1.323 0 O-C-N 121.682 -0.636 . . . . 0.0 111.659 -163.377 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.5 m -148.26 151.85 13.0 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 C-N-CA 128.887 2.875 . . . . 0.0 104.456 173.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.1 35.04 2.15 Favored Glycine 0 CA--C 1.529 0.921 0 CA-C-O 119.315 -0.714 . . . . 0.0 113.674 -170.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -58.84 -37.74 77.13 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.85 1.325 . . . . 0.0 112.671 -169.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.9 mtm-85 -58.32 -39.7 80.13 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.136 0.88 . . . . 0.0 110.921 176.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -71.11 -38.89 72.34 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 118.572 0.624 . . . . 0.0 110.592 176.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -56.91 -52.64 64.36 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 119.104 0.865 . . . . 0.0 109.855 175.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.6 t -58.68 -41.58 82.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 123.732 0.813 . . . . 0.0 109.717 177.271 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -56.85 -50.62 71.88 Favored 'General case' 0 C--N 1.339 0.128 0 CA-C-N 118.729 0.695 . . . . 0.0 110.897 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 76.6 mtm -71.29 -36.69 71.76 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 119.457 -0.306 . . . . 0.0 110.181 -174.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -67.91 -30.86 70.3 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 118.287 0.494 . . . . 0.0 111.85 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.4 -43.02 61.39 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 118.912 0.778 . . . . 0.0 110.682 172.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -65.93 -44.48 85.0 Favored 'General case' 0 CA--C 1.527 0.075 0 C-N-CA 123.897 0.879 . . . . 0.0 111.302 -175.102 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -17.26 62.43 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 118.432 0.56 . . . . 0.0 112.349 175.288 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.6 tpt85 -105.82 8.43 32.78 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.731 1.213 . . . . 0.0 111.286 177.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp 49.16 33.61 5.14 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.89 2.076 . . . . 0.0 112.984 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.0 mt -75.59 166.09 24.1 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 121.772 -0.58 . . . . 0.0 109.741 173.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -132.57 149.03 52.38 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 124.354 1.061 . . . . 0.0 108.691 173.378 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 146.34 -162.42 28.42 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.531 -0.628 . . . . 0.0 111.531 -165.135 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 3.2 p90 -137.0 162.44 33.3 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 124.048 0.939 . . . . 0.0 112.144 177.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.3 p -131.21 142.08 44.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 158.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -153.79 155.13 35.27 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 124.124 0.969 . . . . 0.0 110.59 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.4 t30 . . . . . 0 CA--C 1.538 0.493 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 169.277 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 . . . . . 0 N--CA 1.47 0.528 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 76.4 t -120.39 146.03 25.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 166.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -120.48 138.19 53.95 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 125.461 1.504 . . . . 0.0 107.023 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.0 mt -128.91 140.99 47.78 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 N-CA-C 104.568 -2.382 . . . . 0.0 104.568 177.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.8 tt -143.28 124.67 14.7 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 105.118 -2.179 . . . . 0.0 105.118 176.216 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -142.54 151.34 41.51 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 118.527 0.603 . . . . 0.0 109.992 -174.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -129.28 155.03 46.24 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 125.453 1.501 . . . . 0.0 109.177 168.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.75 -170.1 36.58 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.336 -0.706 . . . . 0.0 111.336 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -54.11 141.07 70.15 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 123.271 2.647 . . . . 0.0 110.728 168.267 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -63.3 -30.01 71.23 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.93 -0.481 . . . . 0.0 111.809 -179.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -67.43 -47.6 69.74 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 121.379 -0.826 . . . . 0.0 110.612 176.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.82 -44.45 94.02 Favored 'General case' 0 C--O 1.23 0.077 0 C-N-CA 123.433 0.693 . . . . 0.0 110.295 177.365 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 43.0 mt -61.92 -42.92 99.65 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 118.592 -0.718 . . . . 0.0 111.011 178.163 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -62.91 -46.17 89.06 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 119.854 1.207 . . . . 0.0 111.021 178.251 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.9 m -58.16 -36.52 73.14 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.602 0.637 . . . . 0.0 111.154 174.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -69.76 -32.94 71.72 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 117.427 -1.273 . . . . 0.0 111.42 178.183 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.5 t -62.69 -44.09 99.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-N 121.355 1.889 . . . . 0.0 109.111 168.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -60.13 -35.03 74.37 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.121 0.873 . . . . 0.0 111.162 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.51 -52.57 37.45 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 122.973 0.509 . . . . 0.0 111.21 171.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.1 t -62.79 -43.03 98.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 124.296 1.039 . . . . 0.0 110.93 -173.199 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -65.53 -18.07 65.04 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 118.713 0.688 . . . . 0.0 112.695 -175.089 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -69.72 -25.23 63.75 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 118.828 0.74 . . . . 0.0 111.578 172.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.35 -178.97 21.49 Favored Glycine 0 CA--C 1.534 1.237 0 N-CA-C 109.406 -1.478 . . . . 0.0 109.406 -153.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.0 p -68.83 159.52 81.97 Favored Pre-proline 0 CA--C 1.536 0.416 0 O-C-N 120.866 -1.373 . . . . 0.0 107.711 159.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -47.49 -27.25 7.15 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 123.298 2.666 . . . . 0.0 114.305 164.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -84.36 -27.62 27.58 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.671 0.788 . . . . 0.0 111.999 177.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 55.6 m -71.82 169.24 16.18 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 123.807 0.843 . . . . 0.0 111.573 -176.28 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -138.67 84.4 2.02 Favored 'General case' 0 N--CA 1.457 -0.105 0 N-CA-C 105.882 -1.896 . . . . 0.0 105.882 161.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.1 p -59.56 135.61 23.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 N-CA-C 107.316 -1.364 . . . . 0.0 107.316 165.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.8 p -119.59 -17.64 8.62 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.629 1.172 . . . . 0.0 110.599 177.244 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -154.77 150.5 27.61 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.253 1.021 . . . . 0.0 109.459 172.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.3 tt -145.88 145.85 19.84 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 125.649 1.58 . . . . 0.0 107.912 -178.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.7 m -137.7 144.97 42.01 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 125.893 1.677 . . . . 0.0 108.002 -174.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.0 t -137.48 143.98 32.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 124.148 0.979 . . . . 0.0 108.554 -173.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 57.6 m -135.81 114.41 11.83 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 105.609 -1.997 . . . . 0.0 105.609 171.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -77.21 148.37 35.89 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 171.31 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.6 m -151.6 169.05 23.06 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.906 1.283 . . . . 0.0 109.971 -168.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -141.54 29.13 1.77 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.842 0.857 . . . . 0.0 109.409 164.36 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.1 m -87.27 60.01 5.88 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.065 1.746 . . . . 0.0 107.587 -176.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 36.0 mt -53.0 141.91 21.07 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 124.581 1.152 . . . . 0.0 111.476 -162.259 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.35 -19.73 13.18 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.802 1.641 . . . . 0.0 110.82 -173.121 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.21 16.03 78.7 Favored Glycine 0 CA--C 1.528 0.848 0 CA-C-O 118.689 -1.062 . . . . 0.0 114.897 154.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -68.67 163.69 23.27 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 119.322 1.561 . . . . 0.0 109.784 169.127 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 24.3 p-80 -103.9 -2.01 26.84 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.708 0.803 . . . . 0.0 112.455 -178.318 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.55 162.86 40.64 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 124.265 1.026 . . . . 0.0 109.76 178.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -79.73 157.82 27.06 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 176.435 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.44 149.33 46.79 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.368 0.667 . . . . 0.0 110.949 -167.353 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 35.8 mt -104.68 135.89 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 104.473 -2.417 . . . . 0.0 104.473 162.125 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 61.9 t . . . . . 0 CA--C 1.534 0.331 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 -179.426 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 mmt . . . . . 0 N--CA 1.487 1.378 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 48.1 mt -129.42 -179.4 5.13 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 125.095 1.358 . . . . 0.0 108.111 171.208 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -152.0 149.84 29.32 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 125.988 1.715 . . . . 0.0 107.399 -170.356 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -146.47 166.18 27.2 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.995 0.426 . . . . 0.0 110.754 164.792 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.6 ttm-85 -118.27 141.89 48.05 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 105.601 -2.0 . . . . 0.0 105.601 158.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.8 mt -130.82 145.21 35.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 105.824 -1.917 . . . . 0.0 105.824 -178.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 21.0 mm -122.44 140.81 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 105.156 -2.165 . . . . 0.0 105.156 175.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.1 t -136.85 143.67 34.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 N-CA-C 107.019 -1.474 . . . . 0.0 107.019 -173.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -143.46 152.15 41.18 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 124.796 1.238 . . . . 0.0 109.267 -177.148 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 138.0 -156.56 23.89 Favored Glycine 0 CA--C 1.525 0.658 0 C-N-CA 124.971 1.272 . . . . 0.0 110.067 -176.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.3 ttp-105 -73.56 87.03 1.61 Allowed 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 161.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.3 m -133.59 13.49 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 C-N-CA 124.053 0.941 . . . . 0.0 111.158 -177.057 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.3 mp0 -138.88 164.47 29.59 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 125.784 1.633 . . . . 0.0 107.429 168.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.86 -51.53 3.81 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 109.357 -1.497 . . . . 0.0 109.357 -170.151 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.2 m -59.09 148.19 7.13 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 154.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.19 37.62 2.19 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 124.19 0.9 . . . . 0.0 112.715 -175.462 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -59.23 -39.43 82.71 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-N 118.052 0.926 . . . . 0.0 112.326 -166.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -59.81 -32.5 70.7 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.491 1.041 . . . . 0.0 111.792 178.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -73.67 -39.34 64.51 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.775 0.716 . . . . 0.0 109.898 176.164 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -55.9 -52.67 63.28 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.692 0.678 . . . . 0.0 109.439 174.182 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.4 t -57.8 -43.41 84.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 124.009 0.924 . . . . 0.0 110.003 178.056 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -55.65 -48.9 74.23 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.847 0.749 . . . . 0.0 110.652 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 76.8 mtm -73.81 -34.61 64.68 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 119.442 -0.313 . . . . 0.0 111.005 -174.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -70.94 -30.34 66.62 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.986 0.812 . . . . 0.0 111.55 176.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.23 -45.42 69.84 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 119.17 0.895 . . . . 0.0 109.845 170.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -63.66 -39.34 94.08 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 123.584 0.754 . . . . 0.0 111.761 -177.453 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.11 -26.01 67.26 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 119.367 0.985 . . . . 0.0 111.584 177.275 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -90.55 -0.43 57.67 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.97 0.908 . . . . 0.0 112.344 171.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm 46.09 39.0 5.33 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.088 1.755 . . . . 0.0 112.541 -172.006 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.6 mt -73.02 165.73 24.46 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 167.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.03 149.05 48.64 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.207 1.003 . . . . 0.0 108.875 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 142.64 -146.82 18.01 Favored Glycine 0 CA--C 1.531 1.086 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -167.051 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.4 p90 -146.71 169.01 19.93 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.013 0.907 . . . . 0.0 113.281 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 p -130.46 144.0 39.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 160.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -151.79 151.36 31.26 Favored 'General case' 0 CA--C 1.519 -0.246 0 O-C-N 121.745 -0.597 . . . . 0.0 111.153 176.459 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 36.4 t30 . . . . . 0 CA--C 1.534 0.332 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 160.459 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.468 0.448 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 76.0 t -118.93 152.21 21.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 167.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -125.65 144.21 50.69 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 125.428 1.491 . . . . 0.0 107.617 177.062 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -120.54 147.96 24.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 N-CA-C 104.877 -2.268 . . . . 0.0 104.877 168.627 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.5 tt -144.1 126.68 16.0 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 105.239 -2.134 . . . . 0.0 105.239 168.124 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -142.76 156.13 44.95 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 118.483 0.583 . . . . 0.0 109.788 -178.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -135.23 155.05 51.31 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 125.677 1.591 . . . . 0.0 109.008 166.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 156.74 -166.72 33.48 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 123.626 0.631 . . . . 0.0 111.641 -178.453 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -57.22 143.19 94.14 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 123.687 2.925 . . . . 0.0 111.159 172.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -42.23 89.21 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 122.981 0.512 . . . . 0.0 112.115 -179.03 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -67.8 -38.07 82.82 Favored 'General case' 0 C--O 1.233 0.224 0 O-C-N 121.465 -0.772 . . . . 0.0 111.364 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.85 -44.08 90.91 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 122.761 0.424 . . . . 0.0 110.042 175.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.4 mt -61.84 -46.53 89.07 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.806 0.842 . . . . 0.0 110.513 177.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -61.42 -44.56 96.92 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 119.265 0.939 . . . . 0.0 110.622 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.1 m -58.7 -37.75 76.78 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 120.969 0.414 . . . . 0.0 110.688 176.076 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -70.66 -31.09 67.88 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 117.509 -1.234 . . . . 0.0 111.683 176.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.2 t -62.76 -44.31 99.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-N 121.289 1.859 . . . . 0.0 109.179 168.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -59.07 -37.97 78.34 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.051 0.841 . . . . 0.0 110.41 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.81 -51.18 58.65 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 122.791 0.436 . . . . 0.0 111.547 174.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 31.6 t -63.3 -44.69 99.25 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 124.219 1.008 . . . . 0.0 110.564 -175.089 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.9 pttt -65.68 -22.4 66.63 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.824 0.738 . . . . 0.0 112.408 -172.405 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -66.49 -27.95 68.19 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.265 0.484 . . . . 0.0 111.48 173.108 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.0 -177.74 38.13 Favored Glycine 0 CA--C 1.531 1.065 0 N-CA-C 109.354 -1.498 . . . . 0.0 109.354 -155.414 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 96.3 p -66.2 160.22 66.17 Favored Pre-proline 0 CA--C 1.539 0.522 0 O-C-N 121.084 -1.245 . . . . 0.0 108.022 158.171 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_exo -46.62 -26.33 4.28 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 123.439 2.759 . . . . 0.0 114.818 164.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -86.8 -26.69 23.97 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.636 0.774 . . . . 0.0 111.981 177.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.9 m -70.72 172.75 8.19 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.133 0.973 . . . . 0.0 111.373 -178.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -142.09 97.99 3.24 Favored 'General case' 0 CA--C 1.522 -0.097 0 N-CA-C 105.869 -1.9 . . . . 0.0 105.869 160.584 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 67.5 t -64.26 135.66 27.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 168.038 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.5 p -118.2 -18.97 9.19 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.994 0.918 . . . . 0.0 110.697 174.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -154.86 150.07 27.07 Favored 'General case' 0 C--N 1.341 0.22 0 C-N-CA 124.198 0.999 . . . . 0.0 109.301 172.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.0 tt -148.27 146.24 17.93 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 125.517 1.527 . . . . 0.0 107.975 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.6 m -139.86 149.76 43.81 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 126.003 1.721 . . . . 0.0 108.275 -176.225 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.4 t -138.39 144.37 30.49 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 124.17 0.988 . . . . 0.0 108.702 -172.175 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.1 m -134.91 103.96 5.79 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 105.781 -1.933 . . . . 0.0 105.781 170.55 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -74.43 149.53 40.37 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 170.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.3 m -148.75 163.84 36.15 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.335 1.454 . . . . 0.0 109.722 -171.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 60.5 ttp85 -144.06 47.77 1.41 Allowed 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.368 1.067 . . . . 0.0 108.697 176.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.0 m -134.65 59.62 1.73 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.961 2.104 . . . . 0.0 106.272 -172.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.5 mt -49.14 148.37 2.48 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 126.897 2.079 . . . . 0.0 113.705 -157.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -68.2 -40.09 82.27 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.405 1.082 . . . . 0.0 109.301 172.417 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 62.29 38.08 95.64 Favored Glycine 0 CA--C 1.533 1.198 0 N-CA-C 110.297 -1.121 . . . . 0.0 110.297 -166.025 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.55 166.28 22.14 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.728 1.211 . . . . 0.0 109.992 -178.581 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -129.53 3.75 5.07 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.046 0.939 . . . . 0.0 112.001 -178.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.9 ptt85 -154.21 157.5 38.88 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 125.612 1.565 . . . . 0.0 108.582 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -86.21 149.15 25.29 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 154.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 m -138.73 162.43 34.71 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 122.842 0.457 . . . . 0.0 111.168 -167.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 24.7 mt -118.3 139.53 45.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 N-CA-C 105.927 -1.879 . . . . 0.0 105.927 169.142 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.537 0.455 0 C-N-CA 124.382 1.073 . . . . 0.0 108.578 174.185 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.4 mmm . . . . . 0 N--CA 1.486 1.341 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 76.8 mt -142.16 -179.66 6.37 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 125.793 1.637 . . . . 0.0 108.308 176.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -136.86 154.79 50.4 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 125.343 1.457 . . . . 0.0 108.563 175.31 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -140.69 169.51 17.5 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.379 0.609 . . . . 0.0 110.805 157.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -132.98 133.46 43.18 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 105.104 -2.184 . . . . 0.0 105.104 170.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.9 mt -131.76 137.34 55.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 106.298 -1.742 . . . . 0.0 106.298 -172.41 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.4 mm -113.14 139.71 36.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 105.18 -2.156 . . . . 0.0 105.18 174.234 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.0 t -134.87 137.2 51.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 -178.108 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -132.04 151.17 51.91 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 125.219 1.408 . . . . 0.0 108.788 -174.433 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.38 -157.37 22.27 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 177.064 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.5 ttp-105 -72.98 87.97 1.36 Allowed 'General case' 0 C--O 1.23 0.067 0 N-CA-C 106.922 -1.511 . . . . 0.0 106.922 167.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.4 m -133.18 -31.42 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 124.051 0.94 . . . . 0.0 111.406 176.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -83.79 -39.11 20.43 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 120.774 -1.204 . . . . 0.0 110.933 -174.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.5 1.1 38.14 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 123.773 0.702 . . . . 0.0 113.46 178.184 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.5 m -130.82 10.83 2.0 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 C-N-CA 126.018 1.727 . . . . 0.0 110.947 -174.261 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.85 30.97 72.44 Favored Glycine 0 C--N 1.343 0.917 0 CA-C-O 119.262 -0.744 . . . . 0.0 113.673 169.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -53.58 -31.42 46.69 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 118.545 1.172 . . . . 0.0 112.794 -177.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -55.08 -37.49 66.86 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 119.136 0.88 . . . . 0.0 111.386 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -71.51 -39.6 70.68 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 118.624 0.647 . . . . 0.0 110.823 178.517 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -59.26 -49.57 77.33 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 118.751 0.705 . . . . 0.0 109.622 175.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.8 t -57.9 -42.85 83.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 C-N-CA 123.354 0.662 . . . . 0.0 109.898 175.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -56.94 -48.97 77.05 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 118.724 0.693 . . . . 0.0 110.849 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 95.7 mtp -71.22 -37.83 72.04 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 122.517 0.327 . . . . 0.0 110.218 -175.114 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -69.03 -30.32 68.66 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 119.166 -0.445 . . . . 0.0 111.683 177.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.31 -44.73 62.28 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 118.976 0.807 . . . . 0.0 110.12 172.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -63.88 -42.01 97.59 Favored 'General case' 0 C--O 1.23 0.058 0 C-N-CA 123.787 0.835 . . . . 0.0 111.522 -176.273 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -13.51 62.13 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.363 -0.835 . . . . 0.0 112.766 177.23 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -104.28 1.14 30.08 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.336 1.054 . . . . 0.0 111.771 170.514 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt 41.79 42.88 2.32 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.446 1.899 . . . . 0.0 112.397 -170.057 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.4 mt -69.42 165.56 20.57 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 166.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.5 141.8 43.49 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 123.405 0.682 . . . . 0.0 109.574 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 144.87 -154.37 25.83 Favored Glycine 0 CA--C 1.533 1.195 0 CA-C-O 119.771 -0.461 . . . . 0.0 112.34 -165.016 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.0 p90 -140.26 165.38 27.55 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 117.935 0.867 . . . . 0.0 112.931 -176.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.3 p -136.96 138.67 45.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 160.057 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -160.53 176.31 11.74 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.853 0.861 . . . . 0.0 111.422 -171.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 45.9 t30 . . . . . 0 N--CA 1.467 0.415 0 C-N-CA 123.329 0.652 . . . . 0.0 110.272 165.639 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 . . . . . 0 N--CA 1.469 0.522 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.4 t -95.82 146.66 6.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 106.006 -1.849 . . . . 0.0 106.006 166.667 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -127.93 139.7 52.43 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 175.179 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.0 mt -129.53 142.23 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 N-CA-C 104.682 -2.34 . . . . 0.0 104.682 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.1 tt -143.98 129.46 19.02 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 105.589 -2.004 . . . . 0.0 105.589 177.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.1 143.8 31.3 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 118.318 0.508 . . . . 0.0 109.967 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -99.67 154.05 18.6 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 156.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 173.55 177.77 43.02 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-O 119.823 -0.432 . . . . 0.0 112.732 177.141 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -72.54 153.75 54.98 Favored 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 122.853 2.369 . . . . 0.0 109.685 167.134 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -58.83 -42.99 90.57 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.342 0.657 . . . . 0.0 111.781 -170.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -64.24 -42.31 96.58 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 118.629 0.65 . . . . 0.0 111.499 -176.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.24 -43.53 86.31 Favored 'General case' 0 N--CA 1.457 -0.091 0 N-CA-C 110.108 -0.331 . . . . 0.0 110.108 177.286 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 46.7 mt -61.51 -46.7 88.85 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.001 0.52 . . . . 0.0 110.463 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -63.16 -44.62 94.99 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 119.569 1.077 . . . . 0.0 110.971 178.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.3 m -58.26 -39.46 79.23 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 121.228 0.537 . . . . 0.0 110.548 175.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -69.7 -31.56 69.66 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-O 116.989 -1.482 . . . . 0.0 111.234 178.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 38.2 t -62.02 -47.43 93.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 121.571 1.987 . . . . 0.0 108.669 167.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -59.07 -35.15 72.88 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.763 0.711 . . . . 0.0 110.81 -176.189 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.79 -56.48 9.03 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.243 0.617 . . . . 0.0 111.763 170.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.7 t -57.69 -46.62 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 C-N-CA 125.048 1.339 . . . . 0.0 111.017 -172.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.4 pptp? -64.59 -18.2 64.67 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -174.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -68.0 -27.78 66.86 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.888 0.767 . . . . 0.0 111.713 172.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.68 -174.17 39.75 Favored Glycine 0 CA--C 1.534 1.256 0 N-CA-C 109.41 -1.476 . . . . 0.0 109.41 -154.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.7 m -63.55 158.4 59.22 Favored Pre-proline 0 CA--C 1.539 0.547 0 O-C-N 121.164 -1.198 . . . . 0.0 108.011 158.327 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_exo -46.83 -33.57 14.35 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.267 2.645 . . . . 0.0 114.202 165.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -79.28 -17.82 53.92 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.166 0.987 . . . . 0.0 113.271 178.126 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.3 m -73.95 171.25 13.8 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.881 0.872 . . . . 0.0 112.84 -173.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 54.1 tttp -137.6 96.91 3.33 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 105.24 -2.133 . . . . 0.0 105.24 161.103 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 66.8 t -64.63 134.04 29.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 168.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.8 p -117.19 -19.62 9.58 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.008 0.923 . . . . 0.0 110.813 177.188 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -155.49 151.0 27.19 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 124.631 1.172 . . . . 0.0 108.742 169.172 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 12.7 tt -142.88 142.16 26.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 125.502 1.521 . . . . 0.0 107.174 174.076 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 66.7 m -136.71 150.81 48.64 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 125.73 1.612 . . . . 0.0 108.386 -178.168 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.2 t -140.65 145.54 25.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 124.127 0.971 . . . . 0.0 108.883 -169.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.2 m -131.09 137.12 48.96 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 164.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -119.91 144.01 47.66 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 54.4 m -147.3 157.33 43.55 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.946 0.898 . . . . 0.0 110.344 -163.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -122.69 53.0 1.29 Allowed 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.289 1.436 . . . . 0.0 107.185 176.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.3 m -139.97 130.42 25.48 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 105.182 -2.155 . . . . 0.0 105.182 -178.305 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -87.44 168.23 13.29 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -174.212 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -117.4 -14.63 10.36 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.118 1.367 . . . . 0.0 111.243 -171.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 71.42 2.96 51.97 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 124.919 1.247 . . . . 0.0 113.147 173.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -72.3 153.57 41.45 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.024 0.93 . . . . 0.0 108.977 176.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -129.47 13.9 6.03 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.576 1.151 . . . . 0.0 110.576 176.365 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.56 167.06 30.1 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 126.341 1.856 . . . . 0.0 107.485 177.204 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -102.7 152.03 21.69 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 169.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.5 m -134.38 151.84 51.44 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 123.426 0.69 . . . . 0.0 111.998 -177.181 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 38.4 mt -97.59 146.78 7.23 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 104.873 -2.269 . . . . 0.0 104.873 159.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 C--O 1.235 0.312 0 N-CA-C 105.448 -2.056 . . . . 0.0 105.448 160.907 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 mmt . . . . . 0 N--CA 1.486 1.329 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 46.0 mt -135.92 175.27 9.75 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 124.772 1.229 . . . . 0.0 108.189 172.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -136.72 150.47 48.45 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 125.761 1.624 . . . . 0.0 107.851 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -138.65 168.21 20.28 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.483 0.658 . . . . 0.0 110.356 166.524 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -131.04 136.52 48.54 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 105.261 -2.126 . . . . 0.0 105.261 166.533 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.7 mt -132.06 136.68 56.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.0 mm -113.22 139.24 39.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 105.133 -2.173 . . . . 0.0 105.133 175.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.5 t -135.62 139.84 45.65 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 -174.266 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -142.39 154.11 44.34 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 125.302 1.441 . . . . 0.0 109.569 -174.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.01 -153.79 21.08 Favored Glycine 0 CA--C 1.522 0.512 0 C-N-CA 125.484 1.516 . . . . 0.0 109.497 -175.159 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -73.62 79.66 1.5 Allowed 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 163.524 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.2 m -131.57 7.8 1.79 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 123.453 0.701 . . . . 0.0 111.906 -172.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -132.16 153.19 50.79 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 168.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.82 18.81 79.68 Favored Glycine 0 CA--C 1.537 1.407 0 CA-C-O 119.706 -0.497 . . . . 0.0 112.586 -169.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 m -137.45 19.71 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 125.652 1.581 . . . . 0.0 110.967 -173.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.55 12.11 60.95 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 124.324 0.964 . . . . 0.0 114.196 176.122 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -61.17 -39.19 89.19 Favored 'General case' 0 C--N 1.339 0.138 0 CA-C-N 118.838 1.319 . . . . 0.0 112.419 -166.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 90.0 mtm-85 -62.04 -33.76 74.97 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.892 1.224 . . . . 0.0 111.855 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -70.21 -39.59 75.07 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 118.95 0.796 . . . . 0.0 110.358 174.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -57.51 -51.28 70.11 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.732 0.696 . . . . 0.0 109.854 175.24 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.6 t -57.86 -43.16 83.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 123.729 0.811 . . . . 0.0 109.719 176.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 -58.3 -49.56 76.71 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 118.79 0.723 . . . . 0.0 110.996 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.5 mtt -72.38 -36.58 68.74 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 -174.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -68.9 -30.36 68.83 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 118.947 -0.549 . . . . 0.0 111.618 177.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.07 -43.56 64.67 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 119.068 0.849 . . . . 0.0 110.319 171.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -66.31 -43.92 84.9 Favored 'General case' 0 N--CA 1.461 0.092 0 C-N-CA 123.685 0.794 . . . . 0.0 111.654 -175.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.35 -16.12 59.46 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.906 0.776 . . . . 0.0 112.397 176.101 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.9 tpt85 -108.71 5.21 24.58 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.961 1.304 . . . . 0.0 111.122 177.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt 39.37 44.46 1.09 Allowed 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 127.729 2.412 . . . . 0.0 113.224 -174.589 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.1 mt -72.89 165.82 24.19 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 165.561 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.23 151.31 50.88 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 124.292 1.037 . . . . 0.0 109.289 175.56 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 140.69 -154.44 24.27 Favored Glycine 0 CA--C 1.531 1.045 0 CA-C-N 118.092 0.405 . . . . 0.0 112.439 -171.525 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.8 p90 -138.65 163.89 30.94 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.069 0.947 . . . . 0.0 112.513 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.4 p -130.99 140.27 49.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 N-CA-C 107.481 -1.304 . . . . 0.0 107.481 157.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -154.3 163.7 39.74 Favored 'General case' 0 C--N 1.338 0.101 0 C-N-CA 123.502 0.721 . . . . 0.0 111.965 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.0 t30 . . . . . 0 C--O 1.234 0.258 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 162.859 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? . . . . . 0 C--O 1.233 0.209 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.3 t -101.6 143.37 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 168.368 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -123.08 136.01 54.63 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 125.525 1.53 . . . . 0.0 106.883 177.142 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 23.5 mt -126.88 138.16 55.65 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 N-CA-C 103.92 -2.622 . . . . 0.0 103.92 179.038 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.7 tt -143.58 117.97 9.66 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 105.286 -2.116 . . . . 0.0 105.286 178.421 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.06 152.95 41.67 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.049 0.54 . . . . 0.0 110.303 -169.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -140.19 155.08 47.07 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 124.563 1.145 . . . . 0.0 111.36 174.041 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 159.07 -165.1 34.11 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.544 1.069 . . . . 0.0 111.0 -177.104 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.48 147.53 68.42 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 123.833 3.022 . . . . 0.0 112.033 174.02 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -62.9 -35.65 80.74 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.877 -0.514 . . . . 0.0 111.245 -178.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -70.67 -38.01 73.71 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.093 -1.004 . . . . 0.0 111.049 177.34 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.32 -44.29 92.04 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 122.894 0.477 . . . . 0.0 109.945 177.28 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.78 -43.22 99.29 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 118.343 -0.836 . . . . 0.0 110.308 176.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -60.28 -47.47 85.86 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 120.133 1.333 . . . . 0.0 111.534 177.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.8 m -56.62 -38.18 71.73 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 118.442 0.564 . . . . 0.0 110.836 174.465 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -70.0 -33.77 72.46 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 117.272 -1.347 . . . . 0.0 111.521 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.9 t -63.42 -44.53 98.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-N 121.347 1.885 . . . . 0.0 108.797 170.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -59.43 -35.59 74.31 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.87 0.759 . . . . 0.0 111.091 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.63 -53.47 27.71 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 122.945 0.498 . . . . 0.0 111.274 171.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.7 t -62.25 -42.57 95.81 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 C-N-CA 124.352 1.061 . . . . 0.0 111.08 -171.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -64.57 -19.07 65.43 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.92 0.782 . . . . 0.0 112.591 -175.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -69.4 -27.79 65.59 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.827 0.74 . . . . 0.0 111.737 174.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.27 -172.81 37.27 Favored Glycine 0 CA--C 1.535 1.331 0 N-CA-C 109.389 -1.485 . . . . 0.0 109.389 -154.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 99.4 p -66.81 161.44 61.34 Favored Pre-proline 0 CA--C 1.538 0.516 0 O-C-N 120.953 -1.322 . . . . 0.0 108.378 160.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -47.13 -24.69 3.69 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 123.619 2.879 . . . . 0.0 114.896 163.469 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -92.55 -18.4 23.18 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.097 0.959 . . . . 0.0 112.223 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.1 m -73.28 171.46 12.99 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.04 0.936 . . . . 0.0 112.043 -178.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -140.39 98.6 3.46 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 105.637 -1.986 . . . . 0.0 105.637 158.516 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.0 t -63.34 135.38 27.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 168.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.3 p -121.99 -16.38 7.57 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.636 0.774 . . . . 0.0 110.812 173.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -154.08 147.8 25.32 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.252 1.021 . . . . 0.0 109.253 172.425 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.6 tt -148.41 144.49 18.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 125.46 1.504 . . . . 0.0 107.854 -178.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.2 m -140.77 153.46 45.86 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 125.661 1.584 . . . . 0.0 108.736 -175.504 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.9 t -138.62 146.48 26.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 123.954 0.901 . . . . 0.0 109.535 -168.138 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -134.53 146.56 49.81 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 127.406 2.282 . . . . 0.0 105.725 170.429 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -124.73 154.59 40.63 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 124.33 1.052 . . . . 0.0 109.508 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.2 m -160.77 170.43 20.74 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.577 1.151 . . . . 0.0 110.256 -175.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -140.83 51.46 1.63 Allowed 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 125.296 1.438 . . . . 0.0 107.266 174.762 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.0 m -136.68 63.72 1.57 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 -155.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -55.95 136.42 51.84 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.774 -154.225 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.91 -22.67 15.67 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.328 1.451 . . . . 0.0 111.633 -175.002 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.29 17.99 72.62 Favored Glycine 0 CA--C 1.529 0.948 0 CA-C-O 118.112 -1.382 . . . . 0.0 115.487 151.331 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -61.15 150.45 34.2 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.997 1.899 . . . . 0.0 109.933 169.044 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 15.3 p-80 -82.33 4.58 23.27 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.616 1.166 . . . . 0.0 112.187 174.225 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.5 ptt-85 -158.71 171.16 20.61 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 125.432 1.493 . . . . 0.0 109.079 -167.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -89.47 155.57 19.22 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 154.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.0 m -135.14 150.37 50.17 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.638 0.775 . . . . 0.0 111.636 -176.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 28.3 mt -96.78 136.57 27.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 N-CA-C 104.142 -2.54 . . . . 0.0 104.142 157.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 47.9 t . . . . . 0 CA--C 1.536 0.422 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 178.047 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.7 mtt . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.902 0.382 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.7 mt -138.11 -179.72 5.95 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 126.053 1.741 . . . . 0.0 108.001 176.664 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -149.22 156.42 42.12 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -175.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -146.86 169.01 20.0 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.431 0.634 . . . . 0.0 111.109 167.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -122.9 140.1 53.34 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 105.447 -2.057 . . . . 0.0 105.447 161.32 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.7 mt -132.51 139.99 48.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 105.954 -1.869 . . . . 0.0 105.954 177.045 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.9 mm -119.19 137.88 51.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 104.889 -2.263 . . . . 0.0 104.889 173.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.1 t -131.64 139.22 51.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 -175.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -134.4 151.66 51.33 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 124.927 1.291 . . . . 0.0 109.029 -171.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.76 -155.17 21.07 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 124.698 1.142 . . . . 0.0 110.514 -179.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -73.8 84.93 1.68 Allowed 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 106.345 -1.724 . . . . 0.0 106.345 165.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.7 m -137.79 -17.17 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -173.391 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -80.9 -30.91 35.37 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 120.45 1.477 . . . . 0.0 113.558 -170.282 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -131.71 37.18 2.1 Favored Glycine 0 CA--C 1.525 0.713 0 C-N-CA 124.032 0.825 . . . . 0.0 111.963 -164.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.6 m -136.01 30.89 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 125.572 1.549 . . . . 0.0 110.158 -170.1 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.8 -8.83 40.72 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 121.375 -0.828 . . . . 0.0 113.599 177.412 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -61.5 -37.2 82.83 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 119.077 1.439 . . . . 0.0 113.236 -166.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.2 mtm105 -57.87 -38.59 76.01 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.701 1.137 . . . . 0.0 110.991 177.074 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -76.89 -36.38 56.74 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.489 0.716 . . . . 0.0 110.204 177.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -55.21 -51.75 65.57 Favored 'General case' 0 C--N 1.341 0.196 0 CA-C-N 118.78 0.718 . . . . 0.0 109.77 173.137 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.7 t -60.73 -40.35 84.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 C-N-CA 123.983 0.913 . . . . 0.0 110.077 177.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.8 tp60 -56.34 -49.55 74.04 Favored 'General case' 0 C--N 1.341 0.198 0 CA-C-N 119.045 0.839 . . . . 0.0 110.627 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 76.2 mtm -72.68 -35.05 67.59 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 122.595 0.358 . . . . 0.0 110.564 -176.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -71.22 -25.07 62.33 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 118.593 -0.718 . . . . 0.0 112.482 178.104 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.33 -47.66 26.7 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 119.434 1.015 . . . . 0.0 109.503 168.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -59.7 -38.13 80.76 Favored 'General case' 0 CA--C 1.527 0.094 0 C-N-CA 123.603 0.761 . . . . 0.0 111.795 -176.061 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.258 0.0 OUTLIER -70.37 -2.22 12.99 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 178.851 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -121.79 8.48 9.98 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.191 1.396 . . . . 0.0 111.168 167.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 46.13 36.31 3.08 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.96 1.704 . . . . 0.0 112.375 -171.161 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.6 mt -69.63 162.96 26.59 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 171.258 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -143.22 145.8 33.1 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.272 0.629 . . . . 0.0 110.367 -170.098 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 138.19 -149.38 20.46 Favored Glycine 0 CA--C 1.535 1.322 0 N-CA-C 111.581 -0.607 . . . . 0.0 111.581 -163.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 13.6 p90 -141.37 167.29 22.53 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 118.159 0.979 . . . . 0.0 113.138 178.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.4 p -132.75 143.5 39.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 160.547 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.0 pttt -152.91 156.91 39.82 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 123.35 0.66 . . . . 0.0 110.415 -178.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.0 p30 . . . . . 0 N--CA 1.466 0.357 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 166.521 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 . . . . . 0 N--CA 1.468 0.444 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.9 t -123.94 145.3 31.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 105.721 -1.955 . . . . 0.0 105.721 166.268 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -118.64 138.74 52.39 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 125.756 1.623 . . . . 0.0 106.775 176.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.9 mt -131.01 137.23 56.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 N-CA-C 104.35 -2.463 . . . . 0.0 104.35 177.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.9 tt -148.42 122.16 9.27 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 106.063 -1.828 . . . . 0.0 106.063 -176.138 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -153.35 163.28 40.2 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 118.532 0.605 . . . . 0.0 112.433 -173.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -127.36 145.64 50.74 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 127.887 2.475 . . . . 0.0 107.114 178.595 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 170.06 -174.75 44.2 Favored Glycine 0 CA--C 1.527 0.835 0 CA-C-O 119.849 -0.417 . . . . 0.0 112.872 174.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -55.16 141.42 80.17 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 123.582 2.855 . . . . 0.0 110.81 168.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -64.27 -31.9 73.28 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -175.036 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -71.43 -41.41 69.54 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 121.289 -0.882 . . . . 0.0 110.923 177.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.01 -43.16 96.46 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 122.88 0.472 . . . . 0.0 109.727 176.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.1 mt -61.52 -47.84 83.75 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-O 118.689 -0.672 . . . . 0.0 110.476 176.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -59.64 -42.23 92.27 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 120.008 1.277 . . . . 0.0 111.092 178.436 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.0 m -62.04 -37.32 84.5 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 121.018 0.437 . . . . 0.0 110.88 176.047 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -66.55 -35.43 80.2 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 117.396 -1.288 . . . . 0.0 110.827 174.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.9 t -61.38 -45.17 99.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-N 121.252 1.842 . . . . 0.0 109.735 170.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -59.02 -38.06 78.37 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.67 0.668 . . . . 0.0 110.502 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.68 -50.48 62.76 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.116 0.417 . . . . 0.0 112.032 171.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.3 t -62.22 -43.39 97.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 124.899 1.28 . . . . 0.0 110.996 -171.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -63.33 -18.25 63.43 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 119.014 0.825 . . . . 0.0 113.096 -176.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -66.08 -29.14 69.42 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 118.921 0.782 . . . . 0.0 111.842 173.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.01 -171.88 38.18 Favored Glycine 0 CA--C 1.534 1.227 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 -155.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 93.5 p -69.59 161.73 72.12 Favored Pre-proline 0 CA--C 1.539 0.529 0 O-C-N 120.936 -1.332 . . . . 0.0 108.167 160.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -47.66 -21.29 2.24 Favored 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 123.704 2.936 . . . . 0.0 115.095 162.196 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -98.13 -14.25 20.52 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.486 1.114 . . . . 0.0 112.107 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.6 m -73.46 169.95 16.13 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.902 0.858 . . . . 0.0 112.024 -178.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.8 ttmt -136.97 95.2 3.07 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 105.061 -2.2 . . . . 0.0 105.061 157.152 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.4 t -62.1 134.92 27.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 167.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 61.4 p -117.03 -21.17 9.02 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.824 0.85 . . . . 0.0 110.515 175.157 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -156.34 156.03 33.23 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.304 1.042 . . . . 0.0 109.236 171.147 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.6 tt -147.77 144.74 19.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 125.665 1.586 . . . . 0.0 107.623 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.0 m -138.18 147.43 43.82 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 125.841 1.656 . . . . 0.0 108.032 -174.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.7 t -135.62 145.33 31.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -173.189 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.7 m -131.46 114.16 14.59 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 104.523 -2.399 . . . . 0.0 104.523 170.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.64 146.56 46.5 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 167.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.1 m -145.48 160.47 41.55 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.801 0.841 . . . . 0.0 109.7 -171.128 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -146.91 29.13 1.0 Allowed 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.14 0.495 . . . . 0.0 110.278 165.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.4 m -83.39 62.65 6.86 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.106 1.762 . . . . 0.0 106.829 174.231 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.8 mt -54.98 148.85 12.72 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 124.543 1.137 . . . . 0.0 111.791 -162.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -121.47 -13.01 8.48 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 125.708 1.603 . . . . 0.0 111.355 -167.602 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 61.19 17.51 52.52 Favored Glycine 0 CA--C 1.53 1.02 0 C-N-CA 124.643 1.116 . . . . 0.0 113.538 169.534 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.61 149.85 48.11 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 117.663 0.731 . . . . 0.0 109.468 -178.083 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -127.21 26.47 6.04 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.542 1.537 . . . . 0.0 109.165 175.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -154.13 152.27 30.22 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 127.23 2.212 . . . . 0.0 107.546 -176.479 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -110.91 150.79 28.7 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 107.028 -1.471 . . . . 0.0 107.028 167.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.7 m -135.9 157.36 47.04 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -177.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 22.9 mt -103.57 137.56 31.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 N-CA-C 104.376 -2.453 . . . . 0.0 104.376 161.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 20.4 t . . . . . 0 CA--C 1.536 0.423 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 176.717 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mmt . . . . . 0 N--CA 1.484 1.229 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 mt -147.84 -179.53 6.96 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 125.094 1.358 . . . . 0.0 108.88 176.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -147.3 150.61 35.13 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 126.503 1.921 . . . . 0.0 106.182 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -147.85 168.23 22.74 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 123.204 0.602 . . . . 0.0 111.118 172.237 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -128.71 140.4 51.76 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 106.126 -1.805 . . . . 0.0 106.126 163.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.9 mt -134.02 145.3 33.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 106.25 -1.759 . . . . 0.0 106.25 -173.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.7 mm -126.32 140.12 49.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 105.074 -2.195 . . . . 0.0 105.074 176.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.8 t -136.23 145.75 30.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 -170.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -141.72 150.91 42.43 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 125.382 1.473 . . . . 0.0 109.232 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 139.46 -158.88 25.63 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.108 -1.197 . . . . 0.0 110.108 -177.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -78.26 87.63 4.32 Favored 'General case' 0 C--O 1.231 0.118 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 163.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.3 m -128.99 17.74 2.65 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 C-N-CA 124.69 1.196 . . . . 0.0 110.41 -176.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -138.11 158.07 45.05 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 126.08 1.752 . . . . 0.0 107.403 169.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 63.69 27.52 71.17 Favored Glycine 0 CA--C 1.533 1.175 0 CA-C-O 119.199 -0.778 . . . . 0.0 112.065 -173.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.2 m -142.33 6.61 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 C-N-CA 126.057 1.743 . . . . 0.0 111.105 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.88 15.89 78.21 Favored Glycine 0 CA--C 1.532 1.118 0 O-C-N 121.462 -0.774 . . . . 0.0 113.858 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -59.31 -37.82 78.69 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 118.821 1.311 . . . . 0.0 112.891 -169.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 89.2 mtm-85 -63.69 -31.96 73.3 Favored 'General case' 0 N--CA 1.466 0.362 0 O-C-N 120.921 -1.112 . . . . 0.0 111.077 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -72.36 -38.16 68.62 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.911 0.778 . . . . 0.0 110.571 173.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -56.03 -51.28 68.35 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 119.184 0.902 . . . . 0.0 109.66 174.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.6 t -59.72 -43.37 91.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 124.153 0.981 . . . . 0.0 110.157 177.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 38.1 tp60 -56.34 -48.94 75.76 Favored 'General case' 0 C--N 1.34 0.171 0 CA-C-N 118.956 0.798 . . . . 0.0 110.467 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.1 mtt -72.41 -34.23 67.72 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.65 0.38 . . . . 0.0 110.31 -176.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -70.82 -24.52 62.57 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 118.549 -0.738 . . . . 0.0 112.494 176.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.41 -45.45 31.55 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 119.606 1.093 . . . . 0.0 110.018 168.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -61.76 -37.0 82.68 Favored 'General case' 0 N--CA 1.461 0.122 0 C-N-CA 123.811 0.844 . . . . 0.0 111.59 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.26 0.0 OUTLIER -69.37 -3.05 12.57 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 178.008 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -121.76 6.49 9.93 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.415 1.486 . . . . 0.0 111.308 168.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp 44.93 39.66 3.82 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.966 1.706 . . . . 0.0 112.088 -171.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 98.5 mt -68.25 165.13 19.09 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 170.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.91 149.1 52.69 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 123.805 0.842 . . . . 0.0 109.469 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 139.36 -153.36 22.91 Favored Glycine 0 CA--C 1.531 1.067 0 N-CA-C 111.835 -0.506 . . . . 0.0 111.835 -170.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 1.9 p90 -141.09 166.2 25.44 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.984 0.897 . . . . 0.0 112.906 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.5 p -127.4 143.73 39.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 159.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 55.0 pttt -149.18 150.87 33.36 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 122.707 0.403 . . . . 0.0 111.314 176.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -71.23 154.41 41.68 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 165.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.8 mtt180 -113.72 135.87 53.47 Favored 'General case' 0 N--CA 1.461 0.123 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 168.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -59.72 -25.85 65.15 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.755 0.822 . . . . 0.0 111.863 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -56.9 -30.46 63.94 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.853 1.261 . . . . 0.0 112.807 173.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.71 -11.34 9.55 Favored Glycine 0 CA--C 1.532 1.129 0 C-N-CA 125.282 1.42 . . . . 0.0 113.034 -178.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.63 177.14 9.21 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.583 1.153 . . . . 0.0 110.634 173.147 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.3 t -125.14 154.38 33.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 169.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -130.67 143.08 50.5 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.006 1.322 . . . . 0.0 108.187 -177.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -124.03 148.06 28.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 171.513 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.6 tt -145.97 126.27 13.95 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 105.198 -2.149 . . . . 0.0 105.198 171.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -143.18 161.32 38.55 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 118.879 0.763 . . . . 0.0 111.061 -173.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -140.43 144.01 35.91 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 127.671 2.389 . . . . 0.0 107.058 174.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 161.18 -168.7 36.54 Favored Glycine 0 CA--C 1.528 0.865 0 CA-C-O 119.555 -0.58 . . . . 0.0 112.224 174.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -54.71 133.39 56.96 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 123.547 2.832 . . . . 0.0 110.408 172.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 pm0 -65.5 -27.43 68.47 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -173.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -69.87 -42.38 73.55 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 119.265 0.939 . . . . 0.0 111.047 172.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.71 -39.81 91.59 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 122.83 0.452 . . . . 0.0 110.091 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.4 mt -62.21 -48.01 81.88 Favored 'General case' 0 C--O 1.222 -0.371 0 C-N-CA 123.483 0.713 . . . . 0.0 110.439 175.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -59.39 -42.46 91.76 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 119.757 1.162 . . . . 0.0 110.656 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.8 m -61.34 -36.24 79.63 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 122.788 0.435 . . . . 0.0 111.007 175.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -69.52 -33.56 73.0 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 117.493 -1.241 . . . . 0.0 111.264 175.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.2 t -61.96 -42.62 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 121.17 1.805 . . . . 0.0 109.087 169.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -60.66 -38.27 84.32 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.125 0.875 . . . . 0.0 110.689 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.03 -50.52 65.9 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.286 0.494 . . . . 0.0 111.675 172.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.2 t -61.81 -46.86 95.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 C-N-CA 123.948 0.899 . . . . 0.0 110.156 -175.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -67.17 -21.16 65.81 Favored 'General case' 0 CA--C 1.53 0.212 0 CA-C-N 118.794 0.725 . . . . 0.0 112.297 -173.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -67.47 -29.11 68.48 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.698 0.681 . . . . 0.0 111.18 172.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.59 -178.67 35.07 Favored Glycine 0 CA--C 1.531 1.076 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 -156.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.9 157.67 74.33 Favored Pre-proline 0 CA--C 1.539 0.553 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 156.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 99.1 Cg_exo -46.66 -33.67 13.94 Favored 'Trans proline' 0 CA--C 1.543 0.951 0 C-N-CA 123.201 2.601 . . . . 0.0 113.992 164.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -74.15 -29.47 61.81 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.24 1.016 . . . . 0.0 112.826 176.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.5 m -78.4 176.46 9.33 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.734 1.614 . . . . 0.0 111.106 -176.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.5 pttt -144.12 114.55 7.55 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 154.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 99.9 t -69.93 136.52 25.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 164.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.4 p -119.13 -18.61 8.66 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.849 0.86 . . . . 0.0 110.741 175.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -155.04 151.89 28.95 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 124.347 1.059 . . . . 0.0 109.115 170.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.4 tt -150.4 147.88 15.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 125.289 1.436 . . . . 0.0 108.111 -178.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 57.3 m -138.75 144.89 39.66 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 126.098 1.759 . . . . 0.0 107.83 -176.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.3 t -136.63 144.72 31.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 C-N-CA 124.367 1.067 . . . . 0.0 108.416 -173.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.2 m -137.29 116.33 12.45 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 105.364 -2.087 . . . . 0.0 105.364 169.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -70.19 156.05 39.77 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 166.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.1 m -141.81 156.55 45.55 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 125.263 1.425 . . . . 0.0 108.062 -178.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -140.26 40.01 1.92 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.242 1.017 . . . . 0.0 108.433 -176.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.5 m -138.23 65.49 1.47 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 127.179 2.192 . . . . 0.0 106.199 -171.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 66.7 mt -49.12 148.57 2.36 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 127.048 2.139 . . . . 0.0 114.725 -155.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -72.96 -34.73 66.68 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.951 1.3 . . . . 0.0 109.995 171.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.43 18.24 49.97 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 124.238 0.923 . . . . 0.0 113.189 -174.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -72.92 166.52 22.87 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.323 1.049 . . . . 0.0 110.444 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 34.7 p80 -127.68 3.76 6.11 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.48 1.112 . . . . 0.0 112.423 -175.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -148.09 165.27 31.32 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 124.796 1.239 . . . . 0.0 108.966 176.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -97.57 153.2 18.33 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 166.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.0 m -141.14 159.02 43.11 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 118.543 0.61 . . . . 0.0 112.02 -176.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 28.1 mt -103.38 130.76 53.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 N-CA-C 104.463 -2.421 . . . . 0.0 104.463 166.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 80.0 t -133.27 160.2 42.56 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 125.315 1.446 . . . . 0.0 107.567 -169.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -141.05 3.36 1.79 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.247 1.019 . . . . 0.0 112.198 177.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.2 m . . . . . 0 C--O 1.25 1.13 0 C-N-CA 124.947 1.299 . . . . 0.0 110.585 179.285 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.7 mmt . . . . . 0 N--CA 1.486 1.346 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 48.5 tp -139.17 170.9 15.12 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.812 1.645 . . . . 0.0 108.113 -177.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -148.34 148.92 30.93 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 126.542 1.937 . . . . 0.0 107.05 -174.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -145.91 166.64 25.39 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 123.057 0.543 . . . . 0.0 111.016 166.453 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.9 ttm-85 -120.2 140.1 51.66 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 163.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 52.4 mt -133.41 139.51 48.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 -179.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.8 mm -115.44 142.77 27.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 N-CA-C 105.358 -2.09 . . . . 0.0 105.358 172.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.7 t -138.03 138.64 43.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 107.009 -1.478 . . . . 0.0 107.009 -175.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -140.73 154.07 46.17 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 124.804 1.242 . . . . 0.0 109.457 -176.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.82 -158.41 23.81 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 109.217 -1.553 . . . . 0.0 109.217 -172.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -75.09 79.79 2.25 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 163.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.9 m -130.15 2.58 2.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 124.392 1.077 . . . . 0.0 111.363 -177.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -133.85 162.82 30.97 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 165.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 71.58 12.08 73.31 Favored Glycine 0 CA--C 1.538 1.515 0 N-CA-C 111.703 -0.559 . . . . 0.0 111.703 -161.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.4 m -145.67 160.13 12.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 128.217 2.607 . . . . 0.0 106.154 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.02 20.91 2.29 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 124.041 0.829 . . . . 0.0 114.67 -170.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -59.27 -34.02 71.75 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.856 1.328 . . . . 0.0 112.487 -172.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -47.6 64.69 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.165 0.586 . . . . 0.0 110.041 175.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -71.81 -39.85 69.55 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 118.657 -0.687 . . . . 0.0 110.216 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -56.02 -50.98 69.38 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-N 118.856 0.753 . . . . 0.0 110.432 178.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.8 t -58.07 -47.76 86.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 123.647 0.779 . . . . 0.0 109.62 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -58.72 -46.92 86.27 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.805 0.729 . . . . 0.0 111.08 178.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 66.4 mtt -70.9 -33.46 70.58 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.804 -0.56 . . . . 0.0 110.793 -173.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -68.26 -37.2 80.49 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.447 0.567 . . . . 0.0 110.799 173.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.01 -42.53 94.35 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.899 0.772 . . . . 0.0 110.523 173.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -66.22 -42.07 89.22 Favored 'General case' 0 C--O 1.228 -0.055 0 C-N-CA 123.763 0.825 . . . . 0.0 111.615 -177.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.06 -25.25 65.26 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 119.931 1.241 . . . . 0.0 111.712 176.608 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -83.64 -1.63 54.38 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.823 0.738 . . . . 0.0 112.469 168.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt 43.87 41.93 4.17 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 126.951 2.1 . . . . 0.0 112.915 -172.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.1 mt -74.92 168.97 18.89 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 163.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.59 148.8 52.43 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.276 1.03 . . . . 0.0 108.239 173.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 160.58 -156.13 27.39 Favored Glycine 0 CA--C 1.527 0.793 0 CA-C-N 118.431 0.56 . . . . 0.0 114.076 -169.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 1.6 p90 -142.81 166.97 23.2 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 124.149 0.98 . . . . 0.0 111.05 169.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.7 p -135.99 137.94 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 168.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -149.61 159.72 44.09 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 113.129 0.788 . . . . 0.0 113.129 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -64.45 131.12 46.24 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 155.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -86.71 148.86 25.25 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 167.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -54.69 -32.39 59.34 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -175.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -64.59 -21.18 66.64 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.402 1.081 . . . . 0.0 113.305 176.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.11 -1.46 29.88 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 125.813 1.673 . . . . 0.0 113.039 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -78.53 175.67 10.13 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 118.83 1.315 . . . . 0.0 109.12 175.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 80.8 t -97.94 148.0 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 106.145 -1.798 . . . . 0.0 106.145 164.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -134.64 137.0 43.28 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 125.964 1.706 . . . . 0.0 106.99 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.0 mt -131.33 142.73 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 N-CA-C 104.439 -2.43 . . . . 0.0 104.439 -175.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.7 tt -142.54 122.49 13.6 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 105.149 -2.167 . . . . 0.0 105.149 175.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -143.59 158.03 43.97 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 118.31 0.504 . . . . 0.0 110.343 -174.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -138.27 155.62 48.44 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 126.067 1.747 . . . . 0.0 109.621 173.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 159.3 -167.84 35.11 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 124.427 1.013 . . . . 0.0 110.66 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.32 149.35 63.2 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 122.133 1.888 . . . . 0.0 110.209 174.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -58.02 -42.91 86.31 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.862 0.865 . . . . 0.0 111.689 -170.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -68.59 -37.91 80.23 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 118.73 0.696 . . . . 0.0 111.907 -176.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.91 -40.9 91.92 Favored 'General case' 0 C--N 1.338 0.078 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 175.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.0 mt -62.14 -42.45 99.26 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 118.378 -0.82 . . . . 0.0 110.581 175.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -62.39 -46.21 89.64 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.896 1.225 . . . . 0.0 110.031 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.1 m -57.58 -37.83 73.85 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.626 0.77 . . . . 0.0 110.606 176.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -70.35 -34.35 72.52 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 117.532 -1.223 . . . . 0.0 111.593 176.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.2 t -63.25 -41.32 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-N 121.381 1.901 . . . . 0.0 109.566 170.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -59.42 -39.74 84.47 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.253 0.933 . . . . 0.0 110.308 178.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.84 -49.43 70.63 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 122.589 0.356 . . . . 0.0 111.288 174.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 48.5 t -63.55 -46.11 95.87 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 123.513 0.725 . . . . 0.0 110.34 -175.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -67.6 -17.19 64.54 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.897 0.771 . . . . 0.0 112.684 -176.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -68.66 -27.4 65.95 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.025 0.829 . . . . 0.0 111.223 171.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.34 175.36 12.58 Favored Glycine 0 CA--C 1.532 1.121 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 -155.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 83.0 p -70.63 160.68 80.88 Favored Pre-proline 0 C--O 1.237 0.437 0 C-N-CA 118.419 -1.313 . . . . 0.0 108.175 161.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -49.8 -3.27 0.05 OUTLIER 'Trans proline' 0 CA--C 1.546 1.111 0 C-N-CA 124.478 3.452 . . . . 0.0 116.058 160.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -125.85 9.88 7.62 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.965 1.706 . . . . 0.0 111.34 -177.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.1 m -130.36 171.42 12.96 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.914 1.285 . . . . 0.0 110.178 -177.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -142.09 90.1 2.23 Favored 'General case' 0 CA--C 1.523 -0.084 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 174.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.2 p -59.69 136.13 23.6 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 161.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.4 p -121.91 -14.96 7.96 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.519 1.127 . . . . 0.0 110.775 175.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -152.93 145.24 23.98 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.414 1.086 . . . . 0.0 109.454 174.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 11.2 tt -144.37 143.71 23.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 125.669 1.588 . . . . 0.0 107.603 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 64.5 m -140.75 130.99 24.96 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 125.133 1.373 . . . . 0.0 107.843 -176.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.2 p -128.67 145.67 35.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 C-N-CA 124.886 1.274 . . . . 0.0 110.852 -173.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.0 m -138.02 115.94 11.58 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 105.703 -1.962 . . . . 0.0 105.703 174.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -67.13 162.82 21.53 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.791 0.805 . . . . 0.0 109.102 167.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.7 m -152.88 162.77 40.88 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 124.722 1.209 . . . . 0.0 108.36 174.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -139.78 35.07 1.98 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.147 0.979 . . . . 0.0 108.927 -171.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.3 m -136.62 62.4 1.61 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.772 2.029 . . . . 0.0 106.356 -172.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.4 mp -54.78 154.65 4.9 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.989 1.716 . . . . 0.0 113.659 -160.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -69.92 -39.99 75.82 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.071 1.349 . . . . 0.0 109.657 176.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.45 37.3 94.58 Favored Glycine 0 CA--C 1.534 1.227 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 -166.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.98 167.08 22.44 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.021 1.328 . . . . 0.0 109.341 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -141.35 23.43 2.16 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.846 0.858 . . . . 0.0 110.618 -178.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -159.93 172.32 17.79 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 125.886 1.674 . . . . 0.0 107.995 -173.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -122.97 133.37 54.38 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 164.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.0 m -122.19 160.46 25.12 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.541 0.736 . . . . 0.0 111.343 -167.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 10.9 mt -118.47 135.82 57.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 106.824 -1.547 . . . . 0.0 106.824 175.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.87 -179.17 1.75 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 C-N-CA 124.016 0.926 . . . . 0.0 109.748 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -136.99 1.69 2.51 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.355 1.062 . . . . 0.0 112.952 -172.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 C--O 1.251 1.159 0 CA-C-O 117.841 -1.076 . . . . 0.0 110.068 -161.564 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 mmt . . . . . 0 N--CA 1.486 1.349 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.4 mt -134.76 177.92 7.41 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 125.428 1.491 . . . . 0.0 107.956 173.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -142.94 151.53 41.05 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.498 1.519 . . . . 0.0 108.098 177.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -143.07 167.23 22.57 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.103 0.477 . . . . 0.0 110.821 163.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -129.05 134.24 48.03 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 105.375 -2.083 . . . . 0.0 105.375 169.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.9 mt -131.79 137.02 55.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 106.055 -1.832 . . . . 0.0 106.055 -172.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.2 mm -112.12 141.34 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 105.203 -2.147 . . . . 0.0 105.203 174.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.6 t -134.96 134.68 53.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 106.492 -1.67 . . . . 0.0 106.492 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -132.09 149.64 52.36 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 125.271 1.428 . . . . 0.0 108.438 -173.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 137.03 -159.54 24.66 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 110.441 -1.063 . . . . 0.0 110.441 -178.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.6 ttt-85 -75.86 75.75 2.79 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 107.085 -1.45 . . . . 0.0 107.085 168.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.5 m -130.05 5.43 2.31 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 125.224 1.41 . . . . 0.0 110.776 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -136.22 150.9 49.18 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 106.241 -1.763 . . . . 0.0 106.241 174.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.99 1.83 63.88 Favored Glycine 0 CA--C 1.539 1.585 0 N-CA-C 111.969 -0.452 . . . . 0.0 111.969 -156.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.8 m -142.82 154.06 17.39 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 C-N-CA 128.123 2.569 . . . . 0.0 106.087 175.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.96 35.3 2.74 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-O 118.99 -0.894 . . . . 0.0 114.767 -161.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -55.94 -35.41 66.62 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 119.203 1.502 . . . . 0.0 112.693 -174.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.2 mtm-85 -56.31 -39.2 72.37 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.349 -0.844 . . . . 0.0 111.329 176.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -71.14 -39.55 71.91 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 118.94 0.791 . . . . 0.0 110.585 178.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -56.76 -52.34 65.38 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.786 0.721 . . . . 0.0 109.596 175.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.1 t -61.28 -40.13 84.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 123.242 0.617 . . . . 0.0 110.159 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.7 tp60 -55.88 -50.11 71.53 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-N 118.998 0.817 . . . . 0.0 110.405 178.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 77.1 mtm -71.45 -36.81 71.36 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 119.461 -0.304 . . . . 0.0 110.594 -175.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -67.19 -32.45 73.53 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 118.454 0.57 . . . . 0.0 111.741 177.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.87 -43.21 65.83 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.918 0.781 . . . . 0.0 110.623 173.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -65.32 -44.68 87.04 Favored 'General case' 0 C--O 1.231 0.102 0 C-N-CA 123.769 0.828 . . . . 0.0 111.423 -175.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -18.59 64.18 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 118.571 0.623 . . . . 0.0 112.307 175.434 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 tpt85 -103.02 7.44 39.04 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.42 1.088 . . . . 0.0 111.383 176.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.6 mttm 47.77 34.37 3.78 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.906 2.082 . . . . 0.0 112.985 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.1 mt -75.3 165.75 24.68 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 172.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.64 146.52 50.98 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.046 0.938 . . . . 0.0 109.006 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 141.55 -154.11 24.5 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-N 118.177 0.444 . . . . 0.0 112.103 -167.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 3.1 p90 -137.51 162.47 33.63 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 117.83 0.815 . . . . 0.0 112.741 -178.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.6 p -132.65 142.72 41.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 156.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -161.7 171.63 17.6 Favored 'General case' 0 C--N 1.335 -0.056 0 C-N-CA 123.198 0.599 . . . . 0.0 112.276 -172.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -64.63 157.02 28.24 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.46 0.704 . . . . 0.0 109.748 162.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 56.3 ttt85 -129.25 136.51 50.19 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 165.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -60.67 -26.43 67.08 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.765 1.226 . . . . 0.0 113.946 -163.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -61.56 -21.48 64.32 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.111 0.564 . . . . 0.0 112.341 175.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.59 29.95 1.48 Allowed Glycine 0 CA--C 1.527 0.802 0 C-N-CA 125.195 1.379 . . . . 0.0 112.066 175.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.8 mmt180 -125.4 179.1 5.26 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.825 1.313 . . . . 0.0 109.84 -170.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.3 t -102.97 148.51 8.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 105.521 -2.029 . . . . 0.0 105.521 164.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -131.58 138.98 49.07 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 177.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.8 mt -128.65 143.38 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 N-CA-C 104.462 -2.422 . . . . 0.0 104.462 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.4 tt -144.63 127.7 16.57 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 105.164 -2.161 . . . . 0.0 105.164 175.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -141.91 147.24 36.76 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 118.373 0.533 . . . . 0.0 110.035 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -116.52 153.56 31.95 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 125.556 1.542 . . . . 0.0 108.599 164.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 161.1 -171.62 37.18 Favored Glycine 0 CA--C 1.528 0.898 0 CA-C-O 119.677 -0.513 . . . . 0.0 112.768 176.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -57.48 149.14 68.21 Favored 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 123.911 3.074 . . . . 0.0 111.616 171.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -59.48 -45.56 91.32 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.162 0.585 . . . . 0.0 110.923 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -65.08 -40.59 94.84 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 118.387 0.539 . . . . 0.0 111.228 -177.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.58 -46.54 85.4 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 123.042 0.537 . . . . 0.0 110.231 176.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.5 mt -62.01 -45.74 92.27 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.53 0.732 . . . . 0.0 110.662 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -60.7 -45.76 92.97 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.118 0.872 . . . . 0.0 110.485 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.8 m -57.87 -39.17 77.17 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 120.899 0.38 . . . . 0.0 110.508 176.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -70.01 -32.57 70.81 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 117.424 -1.274 . . . . 0.0 111.396 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.5 t -62.51 -44.66 99.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 121.289 1.859 . . . . 0.0 109.545 168.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -59.07 -37.98 78.36 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 119.104 0.866 . . . . 0.0 110.515 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.17 -51.26 59.53 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.034 0.534 . . . . 0.0 111.367 173.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.6 t -63.81 -44.22 98.13 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 C-N-CA 124.069 0.948 . . . . 0.0 110.642 -173.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 44.1 pttt -66.99 -19.04 65.65 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.95 0.796 . . . . 0.0 112.657 -174.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -68.45 -28.32 66.95 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.712 0.687 . . . . 0.0 111.257 172.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.45 172.57 11.5 Favored Glycine 0 CA--C 1.533 1.172 0 N-CA-C 110.245 -1.142 . . . . 0.0 110.245 -158.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 27.3 t -65.2 144.85 99.12 Favored Pre-proline 0 CA--C 1.534 0.345 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 161.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -48.59 -27.44 10.63 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 123.494 2.796 . . . . 0.0 114.138 165.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -89.87 -0.37 57.52 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.277 1.031 . . . . 0.0 112.663 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.9 m -125.77 176.38 6.96 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.233 1.813 . . . . 0.0 109.514 -174.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.9 ttmt -144.69 95.72 2.75 Favored 'General case' 0 N--CA 1.461 0.125 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 175.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.3 p -59.74 137.43 22.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 162.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 54.0 p -120.2 -18.57 7.99 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.388 1.075 . . . . 0.0 110.867 174.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -154.42 150.92 28.39 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 124.227 1.011 . . . . 0.0 109.543 173.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.8 tt -146.31 146.01 19.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 125.776 1.63 . . . . 0.0 108.295 -176.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.3 m -139.74 149.15 43.25 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 125.752 1.621 . . . . 0.0 108.448 -176.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 50.2 t -139.96 145.06 27.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 C-N-CA 124.208 1.003 . . . . 0.0 109.073 -171.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.5 m -137.96 140.82 40.44 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 106.077 -1.823 . . . . 0.0 106.077 166.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -126.57 158.54 35.98 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.074 0.949 . . . . 0.0 110.883 -175.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.1 t -159.55 175.3 13.41 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.814 1.246 . . . . 0.0 110.237 -174.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -124.97 1.29 8.0 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.784 1.633 . . . . 0.0 110.006 169.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.1 m -80.6 134.96 35.98 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 105.651 -1.981 . . . . 0.0 105.651 163.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.5 mt -118.57 170.04 9.29 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 -165.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -95.25 -5.2 44.26 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.671 0.788 . . . . 0.0 111.515 -175.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 61.91 20.45 59.98 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 124.685 1.136 . . . . 0.0 112.188 -174.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -77.03 158.45 30.55 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.21 1.005 . . . . 0.0 110.104 -177.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 35.5 p80 -131.69 2.61 4.1 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.657 1.183 . . . . 0.0 112.061 -178.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -148.21 167.06 26.08 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 125.806 1.642 . . . . 0.0 108.017 174.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -95.56 150.69 20.06 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 166.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.5 m -140.83 158.81 43.42 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 118.33 0.514 . . . . 0.0 111.688 -175.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 36.4 mt -103.03 133.76 45.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 N-CA-C 105.025 -2.213 . . . . 0.0 105.025 167.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.9 t -133.4 172.14 16.89 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 N-CA-C 106.535 -1.654 . . . . 0.0 106.535 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -135.81 0.46 2.68 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 -166.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.8 m . . . . . 0 C--O 1.249 1.042 0 C-N-CA 124.881 1.272 . . . . 0.0 107.836 179.734 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 81.0 mmm . . . . . 0 N--CA 1.481 1.105 0 CA-C-O 121.141 0.496 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 51.1 tp -145.67 169.85 17.65 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 126.322 1.849 . . . . 0.0 107.235 -178.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -146.4 148.65 32.54 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.689 1.196 . . . . 0.0 107.81 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -141.56 168.17 20.41 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.399 0.619 . . . . 0.0 111.142 171.2 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 -129.04 137.0 51.05 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 105.039 -2.208 . . . . 0.0 105.039 164.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.7 mt -130.98 140.94 47.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 106.271 -1.751 . . . . 0.0 106.271 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 23.6 mm -118.28 140.51 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 105.092 -2.188 . . . . 0.0 105.092 176.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.1 t -134.23 141.31 44.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 -174.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.415 ' CG ' ' HE ' ' A' ' 41' ' ' ARG . 21.4 t0 -136.38 150.72 48.94 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 126.283 1.833 . . . . 0.0 108.657 -175.068 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.68 -159.64 23.52 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 124.849 1.214 . . . . 0.0 110.153 -177.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 59.2 ttp85 -78.58 79.23 5.01 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 168.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 36.0 m -130.05 6.46 2.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 C-N-CA 125.014 1.325 . . . . 0.0 111.346 -174.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -131.66 162.55 30.14 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 169.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.86 -54.72 4.19 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 -162.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.3 m -63.63 147.27 12.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 159.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.76 37.68 2.66 Favored Glycine 0 CA--C 1.528 0.861 0 C-N-CA 124.548 1.07 . . . . 0.0 113.659 -170.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -56.02 -33.95 65.4 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 118.577 1.188 . . . . 0.0 112.92 -173.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.3 mtm-85 -57.94 -38.66 76.37 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 120.966 -1.084 . . . . 0.0 111.277 175.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -71.39 -38.57 71.49 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.665 0.666 . . . . 0.0 110.511 176.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -57.31 -51.7 68.33 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.895 0.77 . . . . 0.0 109.676 175.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.6 t -59.83 -40.75 83.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 C-N-CA 123.741 0.816 . . . . 0.0 110.076 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.77 -49.13 76.2 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 119.239 0.927 . . . . 0.0 110.803 178.447 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.4 mtt -71.51 -37.67 71.19 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 122.468 0.307 . . . . 0.0 110.248 -175.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -68.25 -30.54 69.6 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 119.152 -0.451 . . . . 0.0 111.691 178.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.98 -44.24 63.83 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 118.734 0.697 . . . . 0.0 110.429 172.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -65.06 -44.95 87.33 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 123.862 0.865 . . . . 0.0 111.323 -174.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.31 -15.73 58.18 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 175.555 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.0 tpt85 -109.02 9.2 26.44 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.817 1.247 . . . . 0.0 111.176 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.5 mttt 47.92 34.55 4.13 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.829 2.051 . . . . 0.0 113.14 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.6 mt -76.29 168.22 20.44 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 121.835 -0.541 . . . . 0.0 109.755 173.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -139.11 153.05 47.95 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.448 1.099 . . . . 0.0 109.082 176.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 138.55 -150.35 21.04 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -168.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 14.3 p90 -143.45 165.65 26.95 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 118.366 1.083 . . . . 0.0 112.832 176.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.2 p -129.58 144.69 37.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 159.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -152.5 159.6 43.31 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 121.191 0.52 . . . . 0.0 112.375 -175.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -63.36 143.78 57.52 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 161.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.7 ttp180 -113.08 140.7 47.65 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 169.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.94 -28.46 70.09 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 113.091 0.775 . . . . 0.0 113.091 -166.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -72.17 -8.66 55.97 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.429 1.091 . . . . 0.0 112.93 176.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.3 -3.98 29.79 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 125.307 1.432 . . . . 0.0 112.79 177.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.415 ' HE ' ' CG ' ' A' ' 9' ' ' ASP . 0.3 OUTLIER -83.59 178.13 8.12 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 119.178 1.489 . . . . 0.0 109.75 178.524 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.9 t -112.28 142.14 25.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 169.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -116.51 139.28 50.65 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 106.484 -1.673 . . . . 0.0 106.484 173.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.2 mt -127.73 140.9 47.88 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 N-CA-C 104.401 -2.444 . . . . 0.0 104.401 176.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.9 tt -145.47 122.6 11.46 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 105.345 -2.094 . . . . 0.0 105.345 178.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -143.99 150.82 38.87 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 118.459 0.572 . . . . 0.0 110.657 -173.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -121.26 152.2 39.15 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 125.65 1.58 . . . . 0.0 108.736 167.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 165.77 -176.52 41.21 Favored Glycine 0 CA--C 1.526 0.752 0 CA-C-O 119.856 -0.413 . . . . 0.0 112.257 176.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -54.94 144.93 65.31 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 123.381 2.721 . . . . 0.0 111.271 167.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -58.28 -38.04 76.21 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.491 0.717 . . . . 0.0 111.504 -178.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -68.37 -44.83 74.31 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 121.548 -0.72 . . . . 0.0 110.706 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.02 -44.82 94.35 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 123.235 0.614 . . . . 0.0 110.413 177.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 55.1 mt -63.62 -40.89 98.06 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 118.432 -0.794 . . . . 0.0 110.828 177.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -61.63 -45.31 94.63 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 120.262 1.392 . . . . 0.0 111.287 177.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.6 m -56.77 -38.18 72.12 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 118.549 0.613 . . . . 0.0 110.862 173.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -69.54 -34.46 74.26 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 117.444 -1.265 . . . . 0.0 111.437 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.0 t -62.73 -44.94 99.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 121.104 1.775 . . . . 0.0 108.87 170.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.02 -35.97 76.22 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.779 0.718 . . . . 0.0 111.154 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.44 -51.11 55.42 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.134 0.574 . . . . 0.0 111.123 173.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.9 t -63.77 -44.5 98.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 124.215 1.006 . . . . 0.0 110.808 -173.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -64.59 -21.26 66.66 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.94 0.791 . . . . 0.0 112.554 -174.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -69.85 -27.19 64.64 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 118.344 0.52 . . . . 0.0 111.824 174.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.74 -174.87 38.76 Favored Glycine 0 CA--C 1.533 1.162 0 N-CA-C 109.415 -1.474 . . . . 0.0 109.415 -155.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.76 156.47 83.11 Favored Pre-proline 0 CA--C 1.54 0.59 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 157.637 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -47.33 -34.19 18.19 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 123.145 2.563 . . . . 0.0 113.803 167.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -77.21 -25.52 51.78 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.058 0.943 . . . . 0.0 113.179 178.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.1 m -78.38 177.24 8.63 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.195 1.398 . . . . 0.0 111.806 -174.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -141.09 101.2 3.98 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 164.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.0 t -64.54 135.83 27.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 N-CA-C 106.71 -1.589 . . . . 0.0 106.71 163.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 77.2 p -117.89 -21.28 8.44 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.707 0.803 . . . . 0.0 110.73 172.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -155.26 153.99 31.47 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 124.115 0.966 . . . . 0.0 109.379 172.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.0 tt -149.45 144.96 17.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 C-N-CA 125.8 1.64 . . . . 0.0 107.821 -176.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 42.8 m -139.07 151.69 46.95 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.5 1.52 . . . . 0.0 108.455 -176.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.1 t -138.12 146.18 27.43 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 C-N-CA 123.931 0.892 . . . . 0.0 109.1 -168.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -135.06 144.04 47.02 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 127.186 2.195 . . . . 0.0 105.125 172.367 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -130.76 143.39 50.71 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 119.737 1.153 . . . . 0.0 108.888 -177.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.0 m -151.23 170.05 20.44 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.938 1.295 . . . . 0.0 109.801 -165.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -135.48 32.38 3.07 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.679 1.192 . . . . 0.0 108.333 176.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.3 m -118.8 55.67 0.92 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.772 1.629 . . . . 0.0 107.996 -159.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.1 mp -44.31 139.96 2.44 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 127.465 2.306 . . . . 0.0 112.702 -164.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -73.65 -37.74 65.2 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.806 1.242 . . . . 0.0 109.75 175.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 59.31 37.43 91.89 Favored Glycine 0 CA--C 1.534 1.243 0 N-CA-C 110.621 -0.992 . . . . 0.0 110.621 -164.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -68.61 146.79 52.73 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.119 0.968 . . . . 0.0 109.479 -174.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -70.55 -27.76 64.4 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -174.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -159.53 177.69 10.67 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 126.198 1.799 . . . . 0.0 108.216 -175.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -85.15 140.82 30.64 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 159.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.5 m -132.97 161.75 33.49 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 119.272 0.942 . . . . 0.0 111.679 -172.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.2 mt -105.38 134.37 47.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 104.711 -2.329 . . . . 0.0 104.711 165.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 58.8 t -132.29 153.02 37.59 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 -174.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -135.89 2.06 2.82 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.609 0.764 . . . . 0.0 112.353 -169.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.2 m . . . . . 0 C--O 1.25 1.115 0 C-N-CA 125.197 1.399 . . . . 0.0 110.647 179.747 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 mmt . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 39.6 tp -148.62 166.36 28.55 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 125.626 1.57 . . . . 0.0 108.065 -178.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -134.85 148.54 50.17 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 125.343 1.457 . . . . 0.0 107.942 175.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -138.71 169.94 16.89 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.344 0.592 . . . . 0.0 110.821 167.646 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -129.89 138.69 51.07 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 105.887 -1.894 . . . . 0.0 105.887 164.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.8 mt -132.98 142.75 41.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 107.1 -1.444 . . . . 0.0 107.1 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.7 mm -114.31 143.71 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 173.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.5 t -136.72 135.63 48.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -125.14 155.14 40.39 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 126.428 1.891 . . . . 0.0 109.11 178.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.2 -157.37 22.85 Favored Glycine 0 CA--C 1.525 0.69 0 C-N-CA 125.111 1.338 . . . . 0.0 111.149 176.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.4 ttt85 -72.08 79.55 0.94 Allowed 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 160.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.2 m -136.0 8.11 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 C-N-CA 123.667 0.787 . . . . 0.0 111.7 -172.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -141.65 166.0 25.94 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 165.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.37 -50.89 4.1 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 -166.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.1 m -59.64 150.25 6.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 153.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.96 34.11 1.69 Allowed Glycine 0 CA--C 1.529 0.963 0 C-N-CA 124.381 0.991 . . . . 0.0 113.201 -175.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -61.88 -33.89 75.02 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.406 1.103 . . . . 0.0 111.881 -172.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 79.9 mtm-85 -59.85 -38.06 81.05 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 120.07 1.304 . . . . 0.0 110.812 177.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -69.56 -39.27 77.49 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.052 0.541 . . . . 0.0 110.492 175.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -57.62 -52.63 64.64 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.582 0.628 . . . . 0.0 109.86 175.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.0 t -58.14 -42.95 84.44 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 124.163 0.985 . . . . 0.0 109.784 177.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 49.2 tp60 -55.83 -50.42 70.59 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 118.558 0.617 . . . . 0.0 110.813 179.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.5 mmt -79.44 -29.35 41.8 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 119.391 -0.338 . . . . 0.0 111.219 -171.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -67.42 -39.91 85.51 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 118.643 0.656 . . . . 0.0 110.46 172.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.92 -42.82 97.28 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 119.105 0.866 . . . . 0.0 110.296 174.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -62.66 -45.77 91.29 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.151 0.58 . . . . 0.0 111.605 -178.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -26.33 64.76 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 119.205 0.911 . . . . 0.0 111.842 177.451 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -81.77 4.82 20.65 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.408 0.683 . . . . 0.0 112.297 169.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.6 mttt 50.04 32.86 6.15 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 126.635 1.974 . . . . 0.0 112.774 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.5 mt -78.52 165.66 23.48 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 123.804 0.842 . . . . 0.0 109.496 175.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -131.57 152.43 50.79 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.454 1.101 . . . . 0.0 108.765 174.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 137.21 -148.21 19.66 Favored Glycine 0 CA--C 1.529 0.966 0 CA-C-N 118.465 0.575 . . . . 0.0 111.769 -169.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 3.0 p90 -145.4 166.91 24.23 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -178.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 p -132.84 146.47 32.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 C-N-CA 125.326 1.45 . . . . 0.0 107.282 158.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.7 pttt -151.99 162.64 40.76 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 123.571 0.748 . . . . 0.0 111.815 177.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -63.58 127.5 31.64 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 157.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.6 ttp180 -83.77 146.84 27.94 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 168.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -57.29 -30.79 65.01 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -168.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -76.83 -15.58 59.68 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.596 1.158 . . . . 0.0 113.4 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.21 -10.72 17.34 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 125.313 1.435 . . . . 0.0 114.077 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.18 174.24 4.86 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 119.938 1.869 . . . . 0.0 109.868 170.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 66.6 t -99.41 143.1 13.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 106.138 -1.801 . . . . 0.0 106.138 166.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -122.94 135.39 54.47 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 170.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 24.1 mt -128.93 142.93 42.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 104.685 -2.339 . . . . 0.0 104.685 -174.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.2 tt -146.8 123.85 11.42 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 106.004 -1.851 . . . . 0.0 106.004 177.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.13 147.56 33.88 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 118.592 0.633 . . . . 0.0 111.031 -172.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -128.09 155.52 44.26 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 126.168 1.787 . . . . 0.0 109.556 173.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 154.63 -165.97 32.17 Favored Glycine 0 CA--C 1.53 0.97 0 CA-C-O 119.512 -0.605 . . . . 0.0 111.7 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.58 131.53 43.01 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 123.544 2.83 . . . . 0.0 111.008 172.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -56.89 -28.61 62.1 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.925 0.89 . . . . 0.0 113.4 -177.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -69.97 -34.82 73.87 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 120.902 -1.123 . . . . 0.0 111.813 173.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.44 -36.43 63.39 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.2 mp -59.51 -51.53 69.46 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-O 118.477 -0.773 . . . . 0.0 110.315 171.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -58.06 -45.23 87.42 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 119.903 1.228 . . . . 0.0 110.944 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.6 m -60.01 -37.75 80.61 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.027 0.441 . . . . 0.0 111.219 176.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -69.28 -31.24 69.61 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 117.188 -1.387 . . . . 0.0 111.236 175.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.9 t -62.68 -44.7 99.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-N 121.666 2.03 . . . . 0.0 108.747 169.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -58.35 -39.75 80.36 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.089 0.859 . . . . 0.0 110.364 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.57 -49.11 70.06 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 174.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.7 t -67.87 -47.34 79.7 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 C-N-CA 124.327 1.051 . . . . 0.0 110.558 -172.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -63.22 -26.24 68.7 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.772 0.715 . . . . 0.0 111.444 -174.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -65.19 -28.74 69.6 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.377 0.671 . . . . 0.0 111.667 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.43 -178.31 38.65 Favored Glycine 0 CA--C 1.528 0.888 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 -156.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 54.5 p -68.56 160.9 74.35 Favored Pre-proline 0 CA--C 1.538 0.505 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 160.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_exo -46.98 -19.23 0.74 Allowed 'Trans proline' 0 CA--C 1.543 0.974 0 C-N-CA 123.839 3.026 . . . . 0.0 115.554 161.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -97.98 -16.63 19.59 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.322 1.049 . . . . 0.0 112.228 179.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.7 m -79.36 173.99 12.02 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.159 1.384 . . . . 0.0 111.601 -177.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -140.09 94.99 2.82 Favored 'General case' 0 C--O 1.231 0.087 0 N-CA-C 106.027 -1.842 . . . . 0.0 106.027 158.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.3 t -62.07 137.17 24.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 167.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.6 p -117.14 -22.62 8.27 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.354 0.661 . . . . 0.0 110.89 175.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -159.3 149.89 19.47 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.253 1.021 . . . . 0.0 109.747 175.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 7.9 pt -131.47 159.52 43.0 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 C-N-CA 125.011 1.324 . . . . 0.0 109.025 171.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.9 m -140.73 156.01 46.3 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 125.214 1.405 . . . . 0.0 108.004 173.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 37.2 t -140.8 146.2 24.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-N 118.708 0.685 . . . . 0.0 109.597 -168.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.7 143.37 50.7 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 105.062 -2.199 . . . . 0.0 105.062 166.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -135.22 139.91 44.86 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 119.953 1.252 . . . . 0.0 108.258 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 70.9 m -149.81 137.25 19.9 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.089 0.956 . . . . 0.0 108.904 -173.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.4 ttp180 -86.67 52.87 2.63 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 169.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.5 m -138.91 103.8 4.9 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 -168.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.8 mp -73.78 149.57 41.64 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.569 0.748 . . . . 0.0 110.001 -173.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -87.6 -16.66 33.9 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.151 1.381 . . . . 0.0 111.021 170.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.33 25.86 63.24 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.688 1.137 . . . . 0.0 113.182 179.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -73.67 167.15 21.96 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.121 0.961 . . . . 0.0 109.668 175.578 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -128.13 12.01 6.56 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.512 1.125 . . . . 0.0 111.2 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -150.62 165.73 32.47 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 125.703 1.601 . . . . 0.0 107.908 176.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -92.38 153.97 18.83 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 154.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.1 m -133.27 149.73 51.94 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.411 0.684 . . . . 0.0 110.633 -171.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 33.2 mt -100.97 132.08 47.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 N-CA-C 103.712 -2.699 . . . . 0.0 103.712 157.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.3 p -141.3 177.18 3.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 -176.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -143.54 7.72 1.52 Allowed 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.873 0.869 . . . . 0.0 112.322 -173.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.7 m . . . . . 0 C--O 1.249 1.034 0 C-N-CA 124.993 1.317 . . . . 0.0 111.48 -173.26 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 mmt . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.814 0.34 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 43.9 tp -137.73 172.92 12.24 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.741 1.616 . . . . 0.0 107.641 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -148.36 151.68 35.74 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 125.579 1.552 . . . . 0.0 107.62 -177.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -146.33 168.38 21.25 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 123.237 0.615 . . . . 0.0 110.735 165.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -126.76 137.93 53.3 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 105.46 -2.052 . . . . 0.0 105.46 167.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.2 mt -134.39 142.7 40.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 -172.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.3 mm -120.12 143.03 33.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 N-CA-C 105.51 -2.033 . . . . 0.0 105.51 173.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.6 t -136.12 132.65 50.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 -177.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -119.08 153.79 34.21 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 126.188 1.795 . . . . 0.0 109.004 -176.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.85 -156.73 21.85 Favored Glycine 0 CA--C 1.522 0.529 0 C-N-CA 124.23 0.919 . . . . 0.0 111.61 173.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.8 ttp-105 -73.94 82.6 1.7 Allowed 'General case' 0 N--CA 1.462 0.133 0 N-CA-C 106.126 -1.805 . . . . 0.0 106.126 163.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.4 m -132.37 9.73 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 123.632 0.773 . . . . 0.0 111.298 -174.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -141.58 165.65 26.91 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.097 1.359 . . . . 0.0 107.547 167.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.82 -50.79 3.94 Favored Glycine 0 CA--C 1.529 0.943 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 -166.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.7 m -59.09 150.34 5.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 153.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.41 31.2 1.88 Allowed Glycine 0 CA--C 1.529 0.953 0 C-N-CA 124.256 0.931 . . . . 0.0 113.771 -172.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -59.96 -32.7 71.07 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 118.442 1.121 . . . . 0.0 112.306 -171.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -53.05 -46.15 68.37 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 119.085 0.857 . . . . 0.0 110.291 175.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -73.82 -36.93 65.01 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.246 0.618 . . . . 0.0 110.471 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -56.27 -51.58 67.63 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.814 0.734 . . . . 0.0 110.01 175.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.0 t -61.5 -41.27 89.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 123.26 0.624 . . . . 0.0 109.783 178.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.17 -49.01 75.22 Favored 'General case' 0 C--N 1.342 0.264 0 CA-C-N 118.829 0.741 . . . . 0.0 110.969 178.094 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 95.8 mtp -72.47 -37.67 68.42 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 122.719 0.408 . . . . 0.0 110.507 -174.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -68.49 -29.37 67.96 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.347 0.521 . . . . 0.0 111.739 178.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.13 -45.21 58.13 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 118.921 0.782 . . . . 0.0 110.54 171.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -64.97 -44.45 89.33 Favored 'General case' 0 C--O 1.231 0.117 0 C-N-CA 123.788 0.835 . . . . 0.0 111.595 -174.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -16.18 50.36 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 175.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 tpt85 -110.48 7.25 22.61 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.191 1.396 . . . . 0.0 111.282 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt 48.63 33.06 3.86 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.318 1.847 . . . . 0.0 112.911 -178.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.0 mt -73.94 165.83 24.44 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 169.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -139.41 151.01 45.93 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.088 0.955 . . . . 0.0 109.051 176.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 141.64 -150.64 22.1 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -167.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.2 p90 -140.54 165.2 28.1 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 118.332 1.066 . . . . 0.0 112.671 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.1 p -131.38 141.01 47.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 N-CA-C 106.347 -1.723 . . . . 0.0 106.347 158.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -153.74 156.7 38.26 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 121.551 0.691 . . . . 0.0 112.722 -176.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -62.66 146.51 51.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 114.565 -1.198 . . . . 0.0 109.551 169.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 -115.36 139.57 49.88 Favored 'General case' 0 N--CA 1.461 0.1 0 N-CA-C 106.416 -1.698 . . . . 0.0 106.416 156.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -58.88 -26.12 63.98 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.233 1.013 . . . . 0.0 112.669 -173.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -53.51 -32.94 52.57 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.628 1.571 . . . . 0.0 113.182 171.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.45 -28.72 6.15 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 125.524 1.535 . . . . 0.0 111.16 -173.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 45.7 mtm180 -57.85 165.24 1.83 Allowed 'General case' 0 C--O 1.234 0.276 0 CA-C-O 122.453 1.12 . . . . 0.0 111.775 170.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 83.4 t -114.29 147.63 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 171.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -116.98 141.23 48.5 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 171.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.5 mt -128.8 144.93 36.57 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 N-CA-C 104.907 -2.257 . . . . 0.0 104.907 175.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.7 tt -143.92 128.27 17.86 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 105.115 -2.179 . . . . 0.0 105.115 174.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -142.74 152.76 42.66 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 118.501 0.591 . . . . 0.0 110.08 -178.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -125.26 155.05 40.74 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 125.752 1.621 . . . . 0.0 109.332 164.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 158.63 -168.58 34.89 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 123.951 0.786 . . . . 0.0 111.676 177.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -56.9 144.68 87.84 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 123.526 2.817 . . . . 0.0 111.5 172.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -62.48 -34.9 77.76 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.517 0.727 . . . . 0.0 111.211 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -67.15 -47.16 71.87 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.006 -1.058 . . . . 0.0 110.933 176.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.51 -46.01 90.08 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 123.688 0.795 . . . . 0.0 110.384 178.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 43.7 mt -62.27 -40.83 97.51 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 118.325 -0.845 . . . . 0.0 110.95 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -62.25 -48.33 80.41 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 119.974 1.261 . . . . 0.0 111.031 176.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.6 p -58.86 -33.48 70.51 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 118.711 0.687 . . . . 0.0 111.356 175.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -71.29 -33.9 70.14 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 117.423 -1.275 . . . . 0.0 111.177 178.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.5 t -62.21 -44.71 99.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-N 121.134 1.788 . . . . 0.0 108.973 168.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -60.8 -34.44 74.51 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.085 0.857 . . . . 0.0 111.36 -178.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.88 -54.16 21.05 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.101 0.56 . . . . 0.0 110.766 171.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.2 t -60.75 -42.94 94.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 124.494 1.118 . . . . 0.0 111.086 -173.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -66.43 -19.73 65.87 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 119.073 0.851 . . . . 0.0 112.655 -175.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -72.25 -22.12 61.28 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.945 0.793 . . . . 0.0 111.528 172.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.77 -169.66 41.51 Favored Glycine 0 CA--C 1.533 1.216 0 N-CA-C 109.069 -1.612 . . . . 0.0 109.069 -156.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 96.8 p -70.04 162.86 66.05 Favored Pre-proline 0 CA--C 1.539 0.532 0 O-C-N 121.34 -1.094 . . . . 0.0 108.107 157.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_exo -47.88 -26.57 7.4 Favored 'Trans proline' 0 CA--C 1.542 0.905 0 C-N-CA 123.415 2.744 . . . . 0.0 114.624 164.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -87.15 -23.95 24.66 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.704 0.802 . . . . 0.0 111.955 178.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.3 m -71.59 171.28 11.72 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.868 0.867 . . . . 0.0 111.777 -177.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -138.41 98.28 3.56 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 105.548 -2.019 . . . . 0.0 105.548 160.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 68.5 t -64.26 135.35 28.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 N-CA-C 106.745 -1.576 . . . . 0.0 106.745 168.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 56.6 p -115.8 -21.51 9.56 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.605 0.762 . . . . 0.0 110.678 175.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -157.29 156.31 32.21 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 124.621 1.168 . . . . 0.0 108.929 170.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.8 tt -146.78 146.67 18.51 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 C-N-CA 125.624 1.57 . . . . 0.0 107.924 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.5 m -136.76 145.32 44.45 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 125.69 1.596 . . . . 0.0 107.912 -176.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 49.9 t -138.06 142.91 34.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 C-N-CA 124.292 1.037 . . . . 0.0 108.414 -174.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.0 m -137.55 112.53 9.04 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 105.976 -1.861 . . . . 0.0 105.976 171.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -69.66 157.34 37.44 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 169.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 75.2 m -156.09 162.57 40.25 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.814 1.246 . . . . 0.0 109.545 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.4 mtt85 -140.29 42.16 1.91 Allowed 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.195 1.398 . . . . 0.0 108.475 -177.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.7 m -136.37 60.19 1.68 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 126.927 2.091 . . . . 0.0 106.428 -171.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.6 mp -55.57 153.15 8.12 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.688 1.595 . . . . 0.0 113.057 -161.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -73.71 -37.35 65.19 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.101 1.36 . . . . 0.0 110.175 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 65.86 24.93 71.71 Favored Glycine 0 CA--C 1.535 1.336 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 -162.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.92 134.72 57.3 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 -175.154 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -81.47 -16.23 52.6 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -172.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -153.84 174.64 14.31 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 125.924 1.69 . . . . 0.0 108.698 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -89.56 142.91 27.24 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 162.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.3 m -137.76 164.43 28.91 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 119.28 0.945 . . . . 0.0 112.001 -170.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.6 mt -112.86 140.32 33.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 N-CA-C 105.463 -2.051 . . . . 0.0 105.463 170.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.0 t -131.41 156.58 42.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 173.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -127.73 34.65 4.61 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.221 1.008 . . . . 0.0 110.156 -167.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.8 m . . . . . 0 C--O 1.249 1.047 0 C-N-CA 126.486 1.914 . . . . 0.0 111.211 178.88 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.5 mtt . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 121.002 0.429 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -136.38 176.27 8.85 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 125.6 1.56 . . . . 0.0 108.555 -177.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -148.65 147.9 29.48 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 -178.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -141.85 170.5 15.59 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 123.282 0.633 . . . . 0.0 110.531 169.452 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -130.41 138.69 50.47 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 105.593 -2.003 . . . . 0.0 105.593 167.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.8 mt -132.47 140.23 48.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 106.17 -1.789 . . . . 0.0 106.17 -175.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.1 mm -125.39 135.12 64.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 N-CA-C 105.467 -2.049 . . . . 0.0 105.467 -174.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.4 t -133.73 135.11 55.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 -170.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -110.33 149.5 30.12 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 106.821 -1.548 . . . . 0.0 106.821 166.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.13 -174.38 36.89 Favored Glycine 0 N--CA 1.446 -0.642 0 CA-C-O 121.349 0.416 . . . . 0.0 112.556 176.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.6 ttp-105 -71.77 99.66 2.2 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 105.214 -2.143 . . . . 0.0 105.214 152.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.8 m -138.69 -28.66 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -177.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.3 mp0 -75.43 -56.85 4.31 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 120.165 1.348 . . . . 0.0 111.585 -172.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.17 -31.58 72.06 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.737 -0.545 . . . . 0.0 111.737 -172.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.6 m -73.74 -5.95 7.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 C-N-CA 125.07 1.348 . . . . 0.0 112.428 174.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.12 35.28 49.74 Favored Glycine 0 C--N 1.341 0.835 0 CA-C-N 119.066 0.848 . . . . 0.0 112.678 171.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -53.58 -34.67 59.2 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 118.332 1.066 . . . . 0.0 112.235 -178.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.7 ptt-85 -51.46 -37.42 48.75 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.552 -0.717 . . . . 0.0 112.83 175.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -72.39 -40.63 67.07 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 118.922 0.783 . . . . 0.0 109.948 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -60.11 -48.93 79.65 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 118.416 0.553 . . . . 0.0 110.018 176.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.1 t -52.77 -52.81 24.7 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 C-N-CA 124.009 0.924 . . . . 0.0 109.198 175.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -59.71 -45.51 91.9 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 118.237 0.471 . . . . 0.0 111.374 -176.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.8 mtt -74.88 -34.65 62.24 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.788 -0.57 . . . . 0.0 110.766 -172.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -73.9 -24.63 59.72 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.544 -0.723 . . . . 0.0 111.4 174.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.48 -46.94 62.78 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 119.194 0.906 . . . . 0.0 109.618 169.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -63.33 -39.16 93.77 Favored 'General case' 0 N--CA 1.458 -0.051 0 C-N-CA 124.283 1.033 . . . . 0.0 111.654 -176.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -21.99 66.88 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 118.915 0.779 . . . . 0.0 112.081 176.537 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.5 mmm-85 -98.06 4.7 49.21 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.323 1.049 . . . . 0.0 112.072 172.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt 48.99 33.96 5.1 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.976 1.711 . . . . 0.0 112.551 -173.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.4 mt -69.76 165.35 21.6 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 169.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.62 149.09 51.53 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 124.645 1.178 . . . . 0.0 108.335 175.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 160.03 -163.68 33.9 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 120.712 -0.756 . . . . 0.0 114.686 -169.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 1.4 p90 -135.78 163.14 30.87 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 123.963 0.905 . . . . 0.0 111.335 173.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.6 p -137.14 141.84 39.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 165.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -154.12 153.02 31.11 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 123.194 0.598 . . . . 0.0 111.338 177.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -68.2 156.42 37.61 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 163.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 57.7 mtp85 -122.94 146.96 47.14 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 170.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -60.84 -27.96 68.47 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.02 0.928 . . . . 0.0 112.772 -172.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -65.45 -15.97 63.17 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.185 0.994 . . . . 0.0 112.876 177.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.77 -1.27 41.9 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 125.073 1.32 . . . . 0.0 112.175 -177.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -74.63 171.05 14.56 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 118.192 0.996 . . . . 0.0 109.772 170.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.2 t -118.88 148.93 21.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 104.939 -2.245 . . . . 0.0 104.939 159.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -123.61 141.58 51.87 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 125.072 1.349 . . . . 0.0 107.939 177.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.7 mt -128.09 143.13 41.86 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 N-CA-C 104.079 -2.563 . . . . 0.0 104.079 178.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.3 tt -140.95 128.65 21.55 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 105.001 -2.222 . . . . 0.0 105.001 173.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -141.97 153.57 44.4 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 118.613 0.642 . . . . 0.0 110.319 -174.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -130.82 142.5 50.39 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 126.884 2.074 . . . . 0.0 107.63 175.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 170.19 -173.43 44.2 Favored Glycine 0 CA--C 1.527 0.811 0 CA-C-O 119.685 -0.508 . . . . 0.0 112.05 176.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -68.88 152.22 73.71 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 C-N-CA 122.425 2.083 . . . . 0.0 109.934 171.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -60.48 -39.77 88.89 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.119 0.568 . . . . 0.0 111.727 -170.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -61.84 -44.14 97.44 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 119.116 0.871 . . . . 0.0 111.414 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.34 -43.63 90.27 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.2 mt -62.03 -47.02 86.59 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 118.794 -0.622 . . . . 0.0 110.754 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -63.05 -44.88 94.63 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.703 1.138 . . . . 0.0 110.83 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.6 m -59.2 -37.62 77.88 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.214 0.531 . . . . 0.0 110.352 175.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -70.89 -29.74 65.9 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-O 117.12 -1.419 . . . . 0.0 111.696 176.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.3 t -62.92 -44.22 99.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 CA-C-N 121.51 1.959 . . . . 0.0 108.703 167.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.44 -34.98 74.76 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.005 0.82 . . . . 0.0 111.148 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.21 -54.49 20.61 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.287 0.494 . . . . 0.0 111.548 170.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.1 t -60.5 -42.98 93.33 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 124.736 1.215 . . . . 0.0 111.225 -172.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -64.28 -19.84 65.68 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.775 0.716 . . . . 0.0 112.507 -174.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -70.28 -27.24 64.26 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.48 0.582 . . . . 0.0 111.892 174.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.44 -174.41 38.51 Favored Glycine 0 CA--C 1.536 1.392 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -154.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.0 m -63.56 157.95 62.23 Favored Pre-proline 0 CA--C 1.54 0.584 0 O-C-N 121.15 -1.206 . . . . 0.0 108.016 157.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_exo -47.17 -34.04 16.93 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 123.199 2.599 . . . . 0.0 113.947 165.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -80.44 -19.69 45.52 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.115 0.966 . . . . 0.0 113.161 178.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.4 m -71.29 172.81 8.68 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 123.853 0.861 . . . . 0.0 112.006 -177.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -139.37 95.56 2.95 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 162.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 97.7 t -62.52 135.44 26.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 170.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.0 p -115.95 -23.82 8.39 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.074 0.95 . . . . 0.0 110.822 177.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -159.09 150.91 20.74 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.624 1.17 . . . . 0.0 108.868 172.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.4 tt -143.85 144.09 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 C-N-CA 124.674 1.19 . . . . 0.0 108.804 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 44.2 m -142.14 159.81 41.49 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.167 1.787 . . . . 0.0 109.126 -177.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.7 t -139.12 147.88 24.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 124.196 0.998 . . . . 0.0 109.423 -169.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -127.69 145.08 51.01 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 127.373 2.269 . . . . 0.0 105.053 166.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -127.22 139.72 52.73 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.4 m -150.87 165.86 32.34 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.063 0.545 . . . . 0.0 110.613 -159.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 83.0 mtt85 -137.1 25.25 3.0 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.742 1.217 . . . . 0.0 109.284 168.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.7 m -85.95 58.0 4.8 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.581 1.952 . . . . 0.0 107.887 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 37.5 mt -51.65 140.72 18.05 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.344 1.458 . . . . 0.0 112.712 -159.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -72.31 -35.02 68.54 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.715 1.206 . . . . 0.0 109.5 172.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 61.14 15.95 46.29 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 124.222 0.915 . . . . 0.0 112.947 -173.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -77.7 169.62 17.99 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.731 1.212 . . . . 0.0 110.374 -178.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 31.7 p-80 -128.87 10.22 5.94 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.329 1.452 . . . . 0.0 111.522 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -147.71 170.78 16.82 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 125.615 1.566 . . . . 0.0 108.875 -174.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.01 145.06 48.5 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.1 m -129.68 153.43 48.15 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.428 0.691 . . . . 0.0 110.862 -168.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 9.8 mt -115.54 133.28 62.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 N-CA-C 105.142 -2.17 . . . . 0.0 105.142 172.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.7 t -132.47 143.88 38.52 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 -176.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -149.18 5.33 0.64 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.622 0.769 . . . . 0.0 113.003 -171.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 C--O 1.248 0.985 0 C-N-CA 125.764 1.625 . . . . 0.0 107.709 178.736 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.8 mmm . . . . . 0 N--CA 1.485 1.3 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 32.9 tp -145.95 172.44 13.37 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.388 1.475 . . . . 0.0 107.315 169.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -149.23 141.41 24.01 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 126.268 1.827 . . . . 0.0 107.315 -174.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -142.88 167.88 21.02 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 123.38 0.672 . . . . 0.0 111.093 171.558 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -126.51 140.16 52.67 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 105.771 -1.937 . . . . 0.0 105.771 166.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.7 mt -133.35 139.67 48.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 17.2 mm -112.89 143.55 22.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 105.248 -2.13 . . . . 0.0 105.248 174.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.5 t -138.07 137.48 44.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 -174.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -137.54 154.62 49.79 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 125.592 1.557 . . . . 0.0 109.402 -176.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.89 -157.01 23.16 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 125.552 1.549 . . . . 0.0 109.977 -175.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -72.62 84.72 1.16 Allowed 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 106.421 -1.696 . . . . 0.0 106.421 160.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.6 m -135.52 6.83 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 123.44 0.696 . . . . 0.0 111.635 -173.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -134.13 163.91 28.53 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 166.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.81 -50.7 3.92 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -167.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.4 m -60.03 150.21 6.45 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 156.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.25 37.21 2.19 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 124.341 0.972 . . . . 0.0 113.166 -173.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -59.67 -34.34 72.72 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.328 1.064 . . . . 0.0 112.348 -170.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 46.7 mtm-85 -53.09 -45.4 68.19 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.146 0.885 . . . . 0.0 111.189 173.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -70.87 -37.1 73.06 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 119.064 -0.493 . . . . 0.0 110.334 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -58.28 -53.39 58.78 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.88 0.763 . . . . 0.0 110.152 175.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.7 t -58.8 -40.23 79.27 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 123.169 0.587 . . . . 0.0 109.595 178.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -56.85 -49.68 74.72 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-N 118.435 0.562 . . . . 0.0 111.164 177.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.9 mtt -72.15 -37.21 69.45 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 122.453 0.301 . . . . 0.0 110.393 -173.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -70.74 -25.76 63.06 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.332 0.514 . . . . 0.0 111.802 177.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.05 -44.36 48.15 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 119.233 0.924 . . . . 0.0 110.259 170.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -65.54 -42.64 91.69 Favored 'General case' 0 C--O 1.231 0.109 0 C-N-CA 124.329 1.052 . . . . 0.0 111.554 -174.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -21.9 61.37 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.509 0.595 . . . . 0.0 111.99 175.528 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -108.47 7.3 26.83 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.83 1.252 . . . . 0.0 111.295 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt 44.91 36.7 2.0 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.417 1.887 . . . . 0.0 112.863 -176.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.7 mt -70.54 165.39 22.8 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 171.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.55 147.23 52.21 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 123.827 0.851 . . . . 0.0 109.267 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 139.98 -150.61 21.6 Favored Glycine 0 CA--C 1.531 1.091 0 N-CA-C 112.191 -0.363 . . . . 0.0 112.191 -169.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 13.1 p90 -149.81 167.14 27.39 Favored 'General case' 0 C--O 1.235 0.298 0 O-C-N 121.912 -0.758 . . . . 0.0 112.668 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.3 p -130.91 137.39 56.02 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 106.951 -1.5 . . . . 0.0 106.951 162.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -147.95 162.94 38.3 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 124.589 1.155 . . . . 0.0 110.996 -170.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -67.98 159.1 31.35 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 162.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.8 ttm-85 -120.42 141.26 50.3 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 106.249 -1.76 . . . . 0.0 106.249 164.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -56.28 -31.5 63.69 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.301 1.04 . . . . 0.0 113.446 -169.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -61.61 -23.72 66.21 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.087 0.955 . . . . 0.0 112.78 175.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.1 0.77 14.52 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 126.512 2.006 . . . . 0.0 112.795 177.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -85.01 175.96 8.72 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 118.899 1.349 . . . . 0.0 109.376 -178.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.8 t -101.04 147.56 7.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 165.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -133.44 136.53 45.25 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 106.39 -1.707 . . . . 0.0 106.39 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.1 mt -131.22 143.83 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 104.483 -2.414 . . . . 0.0 104.483 -173.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.8 tt -142.08 125.97 17.15 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 105.475 -2.046 . . . . 0.0 105.475 175.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -141.59 152.41 44.0 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.132 0.573 . . . . 0.0 109.552 -175.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -133.28 154.18 50.91 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 125.321 1.448 . . . . 0.0 108.97 169.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.95 -171.31 38.71 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-O 119.661 -0.522 . . . . 0.0 112.094 -178.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -55.58 146.66 63.26 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 123.835 3.023 . . . . 0.0 111.405 167.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.52 -32.91 74.56 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.751 -0.593 . . . . 0.0 112.349 -176.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -70.21 -43.46 70.61 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.359 0.982 . . . . 0.0 110.463 177.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.11 -45.89 91.45 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.265 0.626 . . . . 0.0 109.771 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.3 mt -64.0 -44.51 92.41 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 118.348 -0.834 . . . . 0.0 111.47 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -63.66 -42.72 98.05 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 120.267 1.394 . . . . 0.0 110.935 178.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.6 m -58.56 -38.9 78.81 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.046 0.451 . . . . 0.0 110.137 174.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -70.41 -29.85 66.57 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 117.52 -1.229 . . . . 0.0 111.582 177.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.0 t -62.44 -45.16 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-N 121.239 1.836 . . . . 0.0 108.593 168.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -60.36 -37.63 81.31 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.823 0.738 . . . . 0.0 110.928 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.07 -49.52 69.72 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.027 0.376 . . . . 0.0 111.341 173.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.1 t -65.32 -46.36 90.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 C-N-CA 124.283 1.033 . . . . 0.0 111.019 -174.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -64.52 -23.46 67.28 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 119.079 0.854 . . . . 0.0 111.999 -173.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -66.08 -28.66 68.99 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.39 0.541 . . . . 0.0 111.549 174.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.54 -177.23 37.44 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 -156.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 98.3 p -67.02 159.81 74.18 Favored Pre-proline 0 CA--C 1.537 0.46 0 C-N-CA 118.855 -1.138 . . . . 0.0 108.217 159.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_exo -47.11 -27.5 6.36 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 123.447 2.765 . . . . 0.0 114.545 163.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -82.55 -27.08 31.84 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.537 0.735 . . . . 0.0 111.884 176.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.6 m -71.61 171.04 12.16 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.863 0.865 . . . . 0.0 111.428 -178.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -142.32 88.32 2.08 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 105.941 -1.874 . . . . 0.0 105.941 166.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 70.7 t -62.58 135.94 26.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 174.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.8 p -110.59 -27.04 9.14 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.182 0.993 . . . . 0.0 110.457 173.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -159.27 149.0 18.75 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 123.952 0.901 . . . . 0.0 110.125 -178.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 10.1 pt -131.25 160.81 42.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 125.129 1.372 . . . . 0.0 109.342 170.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.3 m -141.67 157.83 44.58 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.499 1.52 . . . . 0.0 108.211 174.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 40.1 t -139.48 146.89 24.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 C-N-CA 123.636 0.774 . . . . 0.0 109.651 -170.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -131.21 148.43 52.7 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 127.144 2.178 . . . . 0.0 105.368 167.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -132.96 151.73 52.02 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 119.596 1.089 . . . . 0.0 108.234 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 55.0 m -160.68 168.88 23.96 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.3 1.04 . . . . 0.0 109.886 -175.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -140.66 63.79 1.45 Allowed 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 165.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.4 m -134.83 61.98 1.66 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 127.631 2.372 . . . . 0.0 105.298 -176.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -53.43 149.56 7.55 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 126.531 1.932 . . . . 0.0 113.202 -154.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -70.26 -29.8 66.68 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.466 1.106 . . . . 0.0 109.747 170.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 58.89 31.18 67.6 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.047 0.832 . . . . 0.0 112.093 -177.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -85.03 167.94 15.36 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.939 1.296 . . . . 0.0 109.811 -178.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -130.14 10.71 5.42 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.486 1.115 . . . . 0.0 111.441 -178.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -147.75 161.46 41.18 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 125.036 1.335 . . . . 0.0 108.985 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -100.65 156.23 17.43 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 166.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -138.64 158.62 43.89 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 122.883 0.473 . . . . 0.0 111.853 -168.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 40.5 mt -115.42 143.35 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 106.634 -1.617 . . . . 0.0 106.634 168.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -134.03 160.66 41.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 N-CA-C 106.874 -1.528 . . . . 0.0 106.874 167.336 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -130.18 10.94 5.42 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.714 -0.617 . . . . 0.0 112.519 -167.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.4 m . . . . . 0 C--O 1.248 1.003 0 C-N-CA 124.893 1.277 . . . . 0.0 108.341 -176.109 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.482 1.127 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 33.9 tp -149.02 -179.95 7.41 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.718 2.007 . . . . 0.0 107.232 176.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -145.83 148.79 33.27 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 126.526 1.93 . . . . 0.0 107.119 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -145.46 168.11 21.34 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 123.414 0.685 . . . . 0.0 111.295 169.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -129.31 139.14 51.86 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 105.732 -1.951 . . . . 0.0 105.732 165.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.2 mt -134.14 144.58 34.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 106.601 -1.629 . . . . 0.0 106.601 -173.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 14.8 mm -124.78 142.97 39.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 N-CA-C 105.633 -1.988 . . . . 0.0 105.633 177.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.0 t -136.62 139.72 44.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 -176.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -124.14 155.93 37.58 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 125.776 1.63 . . . . 0.0 108.682 177.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.17 -159.57 24.07 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 124.581 1.086 . . . . 0.0 110.979 173.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.3 ttp-105 -73.0 79.59 1.19 Allowed 'General case' 0 C--O 1.227 -0.12 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 159.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.9 m -129.3 4.54 2.62 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 C-N-CA 124.538 1.135 . . . . 0.0 110.064 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -139.64 156.68 46.7 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.844 2.058 . . . . 0.0 105.628 172.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.91 15.18 73.81 Favored Glycine 0 CA--C 1.539 1.534 0 N-CA-C 111.76 -0.536 . . . . 0.0 111.76 -160.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.1 m -142.55 160.13 19.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 128.154 2.581 . . . . 0.0 105.484 174.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.36 24.2 1.43 Allowed Glycine 0 CA--C 1.532 1.103 0 C-N-CA 123.903 0.764 . . . . 0.0 114.286 -172.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -60.51 -35.61 76.37 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.825 1.313 . . . . 0.0 112.433 -171.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.0 mtt85 -59.43 -39.59 84.02 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.529 1.059 . . . . 0.0 110.417 178.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -71.91 -37.17 70.12 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 119.023 -0.513 . . . . 0.0 110.7 176.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -56.61 -52.39 65.03 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 118.934 0.788 . . . . 0.0 109.755 175.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.03 -42.88 91.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 123.812 0.845 . . . . 0.0 109.864 177.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.5 tp60 -56.07 -49.12 74.69 Favored 'General case' 0 C--N 1.34 0.19 0 CA-C-N 118.689 0.677 . . . . 0.0 110.892 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.4 mmm -75.85 -34.71 60.08 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 119.436 -0.316 . . . . 0.0 110.42 -173.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -67.26 -31.1 71.2 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.407 0.549 . . . . 0.0 111.49 175.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.7 -44.49 64.11 Favored 'General case' 0 CA--C 1.528 0.114 0 CA-C-N 119.14 0.882 . . . . 0.0 110.484 172.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -65.92 -43.07 89.17 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 123.559 0.744 . . . . 0.0 111.797 -175.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.67 -18.0 63.53 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.009 0.822 . . . . 0.0 112.207 175.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.2 tpt85 -105.27 3.68 30.24 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.938 1.295 . . . . 0.0 111.377 177.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm 41.66 42.21 1.98 Allowed 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 127.181 2.193 . . . . 0.0 112.811 -174.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 79.5 mt -73.44 165.25 25.41 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 166.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.24 146.54 51.13 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 124.155 0.982 . . . . 0.0 109.206 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 142.99 -154.24 25.24 Favored Glycine 0 CA--C 1.533 1.171 0 CA-C-N 118.044 0.384 . . . . 0.0 112.49 -170.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 7.7 p90 -140.96 164.54 29.99 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 118.047 0.924 . . . . 0.0 112.726 -178.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 p -132.04 143.77 39.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 159.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -156.36 161.07 40.18 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 123.011 0.524 . . . . 0.0 112.036 -174.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -64.68 146.87 54.09 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 158.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.2 ttt85 -124.23 133.18 53.59 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 171.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -60.39 -22.39 63.28 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.034 1.334 . . . . 0.0 113.568 -168.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -56.55 -24.69 48.76 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.394 1.078 . . . . 0.0 112.581 172.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.14 20.68 3.63 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 125.662 1.601 . . . . 0.0 111.805 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.1 mmp_? -123.3 175.26 6.81 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 118.256 1.028 . . . . 0.0 109.539 -162.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.8 t -99.72 146.0 9.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 105.13 -2.174 . . . . 0.0 105.13 159.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -122.96 139.81 53.68 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 106.268 -1.753 . . . . 0.0 106.268 171.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.1 mt -130.56 144.96 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 N-CA-C 104.743 -2.318 . . . . 0.0 104.743 178.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.9 tt -142.61 128.28 19.22 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 104.71 -2.33 . . . . 0.0 104.71 176.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -142.03 153.28 44.12 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.257 0.551 . . . . 0.0 109.847 -176.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -143.4 139.16 29.84 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 126.239 1.816 . . . . 0.0 106.753 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 159.82 -167.5 35.33 Favored Glycine 0 CA--C 1.526 0.74 0 CA-C-O 119.327 -0.707 . . . . 0.0 111.677 -177.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -52.78 136.74 59.62 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 123.206 2.604 . . . . 0.0 111.032 172.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -61.0 -33.56 73.44 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.787 -0.571 . . . . 0.0 111.763 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -65.36 -43.66 90.11 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.111 0.869 . . . . 0.0 111.265 175.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.9 -43.16 99.54 Favored 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 123.003 0.521 . . . . 0.0 109.814 176.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 54.2 mt -63.55 -46.0 87.95 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-O 118.423 -0.799 . . . . 0.0 110.942 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -60.5 -43.72 96.75 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 120.179 1.354 . . . . 0.0 110.64 177.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.2 m -58.06 -39.56 78.79 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.033 0.444 . . . . 0.0 110.499 174.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -69.9 -33.86 72.76 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 117.313 -1.327 . . . . 0.0 111.428 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.0 t -62.02 -45.07 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-N 121.283 1.856 . . . . 0.0 108.889 169.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.76 -34.64 74.76 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.879 0.763 . . . . 0.0 111.221 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.8 -52.94 31.19 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.236 0.471 . . . . 0.0 111.321 171.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 19.2 t -61.11 -42.97 95.3 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 C-N-CA 124.715 1.206 . . . . 0.0 111.044 -173.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -65.03 -18.65 65.48 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.986 0.812 . . . . 0.0 112.839 -175.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -67.72 -27.17 66.58 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.864 0.756 . . . . 0.0 111.597 172.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.6 -174.2 35.94 Favored Glycine 0 CA--C 1.533 1.173 0 N-CA-C 109.086 -1.606 . . . . 0.0 109.086 -153.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 95.9 p -68.05 162.58 58.46 Favored Pre-proline 0 CA--C 1.537 0.457 0 O-C-N 120.895 -1.356 . . . . 0.0 107.627 157.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -58.06 -17.13 29.97 Favored 'Trans proline' 0 CA--C 1.544 1.009 0 C-N-CA 122.162 1.908 . . . . 0.0 113.391 167.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -85.82 -23.46 27.16 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.26 0.936 . . . . 0.0 111.898 173.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.3 m -74.61 172.61 11.74 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.936 0.894 . . . . 0.0 112.015 -177.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -139.29 101.72 4.32 Favored 'General case' 0 C--O 1.231 0.094 0 N-CA-C 105.36 -2.089 . . . . 0.0 105.36 158.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 66.6 t -64.01 135.94 27.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 167.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 69.1 p -115.62 -22.74 9.07 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.37 0.668 . . . . 0.0 110.756 174.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -156.61 154.47 30.24 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 124.443 1.097 . . . . 0.0 109.034 172.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.4 tt -147.73 146.21 18.28 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 C-N-CA 125.585 1.554 . . . . 0.0 107.963 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.9 m -138.3 147.2 43.32 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 125.796 1.638 . . . . 0.0 108.197 -176.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.0 t -138.3 143.68 32.23 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 124.231 1.012 . . . . 0.0 108.443 -173.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.2 m -137.39 112.25 8.93 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 105.894 -1.891 . . . . 0.0 105.894 171.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -71.18 160.9 32.01 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 168.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 63.5 m -156.6 164.09 38.59 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 124.818 1.247 . . . . 0.0 109.309 176.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 50.5 ttm-85 -140.32 58.94 1.57 Allowed 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 174.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.5 m -134.68 55.53 1.89 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 127.06 2.144 . . . . 0.0 106.326 178.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.6 mp -52.17 147.53 7.47 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 126.775 2.03 . . . . 0.0 113.103 -156.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -64.71 -33.79 76.8 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.661 1.184 . . . . 0.0 112.104 -176.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.98 14.04 54.62 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 123.79 0.71 . . . . 0.0 112.709 -173.021 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -79.48 166.21 22.22 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.714 1.206 . . . . 0.0 109.784 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -135.56 19.59 3.33 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.347 1.059 . . . . 0.0 111.248 -178.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -151.95 162.22 41.42 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 124.776 1.231 . . . . 0.0 109.117 176.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -106.12 152.89 22.84 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 170.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.1 m -138.28 156.28 47.8 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.105 0.562 . . . . 0.0 111.686 -174.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.3 mt -104.24 136.29 38.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 104.516 -2.402 . . . . 0.0 104.516 162.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 39.9 t -132.58 153.74 38.66 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 -176.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -136.79 9.76 3.09 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.346 0.658 . . . . 0.0 112.486 -164.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.8 m . . . . . 0 C--O 1.248 0.996 0 C-N-CA 125.211 1.404 . . . . 0.0 108.127 -173.99 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.0 mtt . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.786 0.327 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -143.33 177.82 8.16 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.728 1.611 . . . . 0.0 108.364 -178.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -152.9 154.93 36.06 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.124 1.369 . . . . 0.0 107.593 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -148.2 166.29 28.35 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 121.774 -0.579 . . . . 0.0 110.448 165.147 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 34.9 ttm-85 -115.1 140.73 48.82 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 105.645 -1.983 . . . . 0.0 105.645 160.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.0 mt -132.13 139.89 49.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 106.553 -1.647 . . . . 0.0 106.553 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.4 mm -117.45 141.3 36.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 N-CA-C 105.145 -2.169 . . . . 0.0 105.145 173.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.6 t -136.23 138.8 46.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 -176.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -136.76 153.16 50.92 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 125.192 1.397 . . . . 0.0 109.317 -171.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.15 -154.49 21.22 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 -178.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.6 ttp-105 -74.25 82.39 1.85 Allowed 'General case' 0 N--CA 1.461 0.077 0 N-CA-C 106.234 -1.765 . . . . 0.0 106.234 162.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.5 m -130.65 9.55 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 C-N-CA 123.65 0.78 . . . . 0.0 111.175 -174.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -134.37 149.88 50.87 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 173.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.5 18.44 79.4 Favored Glycine 0 CA--C 1.534 1.267 0 CA-C-O 119.693 -0.504 . . . . 0.0 112.699 -169.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.9 m -136.82 21.94 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 125.796 1.638 . . . . 0.0 110.749 -174.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 69.2 10.92 63.22 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 124.379 0.99 . . . . 0.0 114.158 175.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -63.2 -36.54 83.99 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.959 1.38 . . . . 0.0 112.655 -166.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.5 mtm180 -58.79 -40.57 84.43 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.927 1.24 . . . . 0.0 110.824 176.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -69.18 -39.22 78.85 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 118.259 0.482 . . . . 0.0 110.302 177.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -57.48 -52.87 63.62 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.718 0.69 . . . . 0.0 109.896 175.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.6 t -58.79 -41.13 81.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 C-N-CA 123.553 0.741 . . . . 0.0 109.743 178.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -56.89 -49.95 73.98 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 118.723 0.692 . . . . 0.0 110.968 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 96.8 mtp -72.11 -37.11 69.58 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 122.626 0.37 . . . . 0.0 110.481 -173.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -71.61 -28.03 63.52 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 118.426 0.557 . . . . 0.0 111.73 177.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.43 -44.56 64.61 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 119.207 0.912 . . . . 0.0 110.042 171.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -64.79 -43.97 91.49 Favored 'General case' 0 C--O 1.231 0.088 0 C-N-CA 123.903 0.881 . . . . 0.0 111.471 -175.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -25.2 66.93 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 118.623 0.647 . . . . 0.0 111.646 176.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.0 tpt85 -99.8 6.72 45.38 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.44 1.096 . . . . 0.0 111.674 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt 48.6 34.18 4.78 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.533 1.933 . . . . 0.0 112.922 -178.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 80.4 mt -73.8 165.56 24.9 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 121.828 -0.545 . . . . 0.0 109.545 172.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.69 147.15 50.73 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 124.14 0.976 . . . . 0.0 108.751 175.085 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 145.03 -156.43 26.93 Favored Glycine 0 CA--C 1.529 0.941 0 CA-C-N 117.948 0.34 . . . . 0.0 112.389 -169.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 1.8 p90 -143.25 167.29 22.48 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 117.82 0.81 . . . . 0.0 112.802 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.5 p -135.7 141.41 42.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 159.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -152.82 170.76 19.52 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.789 1.236 . . . . 0.0 111.435 -178.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -64.81 157.43 27.71 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.452 0.701 . . . . 0.0 109.719 162.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.0 ttt85 -124.64 133.05 53.37 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 163.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -61.26 -25.33 67.01 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.548 1.139 . . . . 0.0 113.538 -164.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -61.46 -19.71 62.32 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.664 0.785 . . . . 0.0 112.546 175.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.64 28.79 1.68 Allowed Glycine 0 CA--C 1.529 0.925 0 C-N-CA 125.295 1.426 . . . . 0.0 112.324 173.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -124.94 -179.69 4.65 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 118.495 1.148 . . . . 0.0 109.503 -169.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.8 t -108.65 147.3 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 106.182 -1.784 . . . . 0.0 106.182 165.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -133.83 134.23 42.56 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.49 1.516 . . . . 0.0 107.055 -177.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 17.8 mt -130.9 146.48 33.91 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 N-CA-C 104.778 -2.305 . . . . 0.0 104.778 -172.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.1 tt -143.68 129.19 19.08 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 105.19 -2.152 . . . . 0.0 105.19 174.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -141.4 154.27 45.52 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.17 0.588 . . . . 0.0 109.894 -176.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -142.04 141.19 32.79 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 126.588 1.955 . . . . 0.0 107.103 178.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 161.95 -168.82 37.17 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-O 119.627 -0.541 . . . . 0.0 112.144 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -54.16 146.02 51.25 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 123.587 2.858 . . . . 0.0 111.86 171.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -59.77 -45.07 93.41 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.022 0.529 . . . . 0.0 110.575 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -62.86 -43.71 98.08 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.949 -0.469 . . . . 0.0 111.294 -178.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.98 -45.83 91.42 Favored 'General case' 0 C--N 1.34 0.157 0 C-N-CA 123.195 0.598 . . . . 0.0 110.401 175.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.2 mt -63.14 -40.53 97.84 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 118.32 -0.848 . . . . 0.0 110.982 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -63.51 -46.89 84.0 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 120.173 1.351 . . . . 0.0 110.903 177.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.8 m -57.6 -36.58 71.94 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.411 0.55 . . . . 0.0 110.915 174.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -70.51 -32.83 70.48 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 117.369 -1.3 . . . . 0.0 111.671 178.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.92 -45.23 99.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-N 121.257 1.844 . . . . 0.0 108.763 169.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.85 -34.44 74.59 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.673 0.67 . . . . 0.0 111.434 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.7 -53.19 29.62 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 122.908 0.483 . . . . 0.0 110.955 171.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.1 t -61.22 -43.66 96.88 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 C-N-CA 124.457 1.103 . . . . 0.0 110.939 -173.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -64.39 -18.54 64.79 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 119.032 0.833 . . . . 0.0 112.926 -176.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -69.32 -23.49 63.8 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.071 0.85 . . . . 0.0 111.835 174.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.57 -170.04 43.42 Favored Glycine 0 CA--C 1.534 1.231 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 -157.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 97.7 p -69.75 162.51 67.27 Favored Pre-proline 0 CA--C 1.539 0.544 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 157.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_exo -48.25 -25.54 7.14 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 123.493 2.795 . . . . 0.0 114.569 164.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -90.84 -18.86 24.13 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.066 0.946 . . . . 0.0 112.148 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.0 m -73.5 170.83 14.32 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.894 0.878 . . . . 0.0 112.007 -179.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -137.73 97.94 3.55 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 105.383 -2.08 . . . . 0.0 105.383 159.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.8 t -63.79 135.47 27.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 168.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.4 p -119.24 -18.78 8.55 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.845 0.858 . . . . 0.0 110.673 174.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -155.66 153.48 30.08 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 124.156 0.982 . . . . 0.0 109.456 171.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.2 tt -147.46 147.25 17.61 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 C-N-CA 125.809 1.644 . . . . 0.0 107.763 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.3 m -138.75 146.31 41.28 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 125.682 1.593 . . . . 0.0 108.037 -175.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 49.0 t -136.56 142.4 38.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 -173.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.6 m -136.63 92.78 2.79 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 177.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -63.61 139.67 58.79 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 173.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.7 m -145.41 165.97 26.98 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.683 1.593 . . . . 0.0 108.926 -170.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -144.81 22.29 1.6 Allowed 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.259 -0.901 . . . . 0.0 112.684 174.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.4 m -87.76 62.89 7.21 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 106.89 -1.522 . . . . 0.0 106.89 173.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.8 mt -52.09 144.45 12.16 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.305 1.442 . . . . 0.0 112.837 -158.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -63.22 -36.63 84.28 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.451 1.1 . . . . 0.0 112.033 -173.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.03 11.73 39.8 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 123.925 0.774 . . . . 0.0 112.984 -173.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -76.59 167.17 22.3 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.843 1.257 . . . . 0.0 109.532 178.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -128.21 10.28 6.3 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.185 0.994 . . . . 0.0 111.55 -178.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -147.2 166.32 27.37 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 124.698 1.199 . . . . 0.0 109.416 174.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -100.0 153.57 19.09 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 165.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.9 m -138.98 148.69 43.82 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.077 0.853 . . . . 0.0 112.623 -173.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 42.2 mt -90.84 130.69 39.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 N-CA-C 104.571 -2.381 . . . . 0.0 104.571 164.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 97.8 t -132.2 156.12 42.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 -174.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -151.84 4.87 0.42 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.26 1.424 . . . . 0.0 111.977 -176.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 C--O 1.249 1.057 0 C-N-CA 125.491 1.516 . . . . 0.0 110.919 -179.142 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.486 1.329 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 56.2 mt -135.35 172.06 13.55 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 125.347 1.459 . . . . 0.0 108.379 177.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -134.95 148.39 50.02 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 126.324 1.85 . . . . 0.0 107.094 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -142.63 167.68 21.52 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.486 0.66 . . . . 0.0 111.112 162.182 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 25.2 ttt180 -126.03 134.63 51.37 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 104.963 -2.236 . . . . 0.0 104.963 166.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.1 mt -131.6 139.5 50.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 -173.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.9 mm -121.32 142.1 38.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 105.716 -1.957 . . . . 0.0 105.716 177.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.1 t -137.54 146.11 28.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -170.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -140.22 150.83 44.61 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 125.866 1.666 . . . . 0.0 108.993 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 139.17 -156.12 24.29 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.701 -0.959 . . . . 0.0 110.701 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -72.94 87.47 1.33 Allowed 'General case' 0 N--CA 1.462 0.142 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 164.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.7 m -129.32 15.75 2.58 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 124.767 1.227 . . . . 0.0 110.718 178.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.6 mp0 -137.81 161.86 35.47 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 126.389 1.876 . . . . 0.0 107.075 164.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.7 13.25 71.53 Favored Glycine 0 CA--C 1.537 1.407 0 N-CA-C 111.698 -0.561 . . . . 0.0 111.698 -165.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.4 m -146.83 154.35 12.09 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 128.055 2.542 . . . . 0.0 105.815 -178.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.37 36.12 2.21 Favored Glycine 0 CA--C 1.528 0.879 0 C-N-CA 123.83 0.729 . . . . 0.0 113.407 -171.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -63.19 -34.31 77.36 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.946 1.373 . . . . 0.0 112.41 -168.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.416 ' NH2' ' H ' ' A' ' 36' ' ' ASN . 56.3 mtt-85 -54.53 -48.69 71.67 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.106 0.866 . . . . 0.0 110.368 173.442 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -67.76 -41.34 83.49 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.347 0.659 . . . . 0.0 110.371 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -56.59 -54.13 49.55 Favored 'General case' 0 C--N 1.341 0.213 0 C-N-CA 123.024 0.53 . . . . 0.0 109.895 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.9 t -60.94 -41.45 88.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 123.5 0.72 . . . . 0.0 109.811 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.418 HE22 ' C ' ' A' ' 87' ' ' SER . 1.7 tp-100 -56.16 -50.12 72.04 Favored 'General case' 0 C--N 1.342 0.262 0 CA-C-N 118.754 0.706 . . . . 0.0 110.789 179.11 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.2 mmt -78.17 -32.81 50.35 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 119.2 -0.428 . . . . 0.0 110.778 -172.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -67.18 -31.98 72.76 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.696 0.68 . . . . 0.0 111.315 174.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.12 -45.8 62.91 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 119.026 0.83 . . . . 0.0 110.506 172.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -64.43 -44.23 91.82 Favored 'General case' 0 C--O 1.23 0.07 0 C-N-CA 123.613 0.765 . . . . 0.0 111.517 -174.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -18.29 64.83 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.727 -0.608 . . . . 0.0 112.211 177.129 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -104.37 10.82 35.24 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.649 1.18 . . . . 0.0 111.186 176.073 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.4 mttm 49.56 33.93 6.4 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.927 2.091 . . . . 0.0 113.195 178.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.6 mt -75.38 165.56 24.95 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 171.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -134.15 150.42 51.11 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.553 1.141 . . . . 0.0 108.434 172.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 144.24 -150.98 23.06 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -167.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -146.38 166.98 24.72 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 118.436 1.118 . . . . 0.0 113.275 179.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.2 p -131.99 140.76 47.2 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 C-N-CA 124.372 1.069 . . . . 0.0 108.146 160.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 44.4 pttt -152.93 150.51 29.34 Favored 'General case' 0 CA--C 1.523 -0.07 0 C-N-CA 124.191 0.996 . . . . 0.0 109.319 175.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.416 ' H ' ' NH2' ' A' ' 18' ' ' ARG . 2.9 p-10 -70.71 149.03 47.36 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 161.234 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -88.51 149.42 23.64 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 164.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -61.55 -29.63 70.13 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 122.932 0.493 . . . . 0.0 111.392 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -31.93 66.64 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.355 1.462 . . . . 0.0 112.914 173.238 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.04 -20.57 9.14 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-N 118.961 0.8 . . . . 0.0 113.24 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.83 171.08 2.28 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 119.428 1.614 . . . . 0.0 109.43 165.318 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.5 t -119.67 148.64 22.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 106.498 -1.667 . . . . 0.0 106.498 173.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -124.71 138.95 54.26 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 125.473 1.509 . . . . 0.0 107.511 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.5 mt -130.88 141.77 45.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 N-CA-C 104.421 -2.437 . . . . 0.0 104.421 176.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.0 tt -142.67 126.94 17.59 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 105.119 -2.178 . . . . 0.0 105.119 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -143.7 152.15 40.95 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 118.656 0.662 . . . . 0.0 110.412 -173.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -142.71 144.43 32.69 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 125.993 1.717 . . . . 0.0 108.193 177.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 158.47 -164.88 33.72 Favored Glycine 0 CA--C 1.533 1.187 0 CA-C-O 119.657 -0.524 . . . . 0.0 112.444 -175.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -56.21 137.84 81.13 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 124.164 3.243 . . . . 0.0 111.939 173.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -59.82 -32.2 70.43 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.243 -0.911 . . . . 0.0 112.644 -175.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -73.39 -27.46 61.48 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.35 -0.844 . . . . 0.0 111.498 176.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.83 -40.46 61.04 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 178.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.9 mp -58.48 -48.98 78.99 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 118.89 -0.576 . . . . 0.0 110.569 172.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -61.49 -46.48 89.84 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.285 0.948 . . . . 0.0 111.193 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.7 m -55.79 -40.44 72.68 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 121.32 0.581 . . . . 0.0 110.535 175.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -72.64 -30.06 63.99 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-O 117.0 -1.476 . . . . 0.0 111.543 -178.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.7 t -64.18 -44.28 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 121.652 2.023 . . . . 0.0 108.583 168.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -59.99 -34.0 72.72 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.246 0.93 . . . . 0.0 111.171 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.34 -56.0 10.07 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 122.866 0.466 . . . . 0.0 111.375 170.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.1 t -60.55 -42.3 90.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 124.755 1.222 . . . . 0.0 111.16 -172.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -64.54 -21.73 66.77 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.759 0.709 . . . . 0.0 112.364 -175.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -71.47 -28.84 64.22 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.602 0.637 . . . . 0.0 111.366 173.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.9 -176.94 35.71 Favored Glycine 0 CA--C 1.534 1.23 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 -155.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.82 157.17 61.56 Favored Pre-proline 0 CA--C 1.541 0.631 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 158.434 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -46.21 -34.9 14.4 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 123.436 2.757 . . . . 0.0 114.461 168.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -79.17 -26.92 42.66 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.752 0.821 . . . . 0.0 112.761 176.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.0 m -71.23 173.18 8.05 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.599 1.159 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -145.56 99.07 3.23 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 106.088 -1.819 . . . . 0.0 106.088 167.183 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 67.8 t -65.22 135.14 28.77 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 167.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.1 p -120.01 -18.88 8.04 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.812 0.845 . . . . 0.0 110.774 175.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -153.8 149.52 27.5 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 124.503 1.121 . . . . 0.0 109.059 170.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.1 tt -147.36 145.21 19.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 125.504 1.522 . . . . 0.0 107.733 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 67.4 m -136.7 149.93 48.17 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 126.188 1.795 . . . . 0.0 108.229 -178.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.9 t -140.77 145.02 26.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 124.186 0.994 . . . . 0.0 108.679 -171.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.1 m -134.55 119.77 18.84 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 105.584 -2.006 . . . . 0.0 105.584 165.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -103.11 154.64 19.08 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 123.885 0.874 . . . . 0.0 109.362 177.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.1 m -164.73 175.19 9.92 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.334 1.454 . . . . 0.0 109.918 -171.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -122.33 23.9 9.57 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.469 1.108 . . . . 0.0 109.761 170.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.7 m -82.47 70.0 9.34 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 125.721 1.608 . . . . 0.0 107.027 175.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 23.2 mt -63.45 138.01 58.36 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.23 -165.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -74.01 -39.0 63.9 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 122.993 0.517 . . . . 0.0 111.63 -172.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 62.17 27.71 69.51 Favored Glycine 0 CA--C 1.536 1.363 0 N-CA-C 111.729 -0.548 . . . . 0.0 111.729 -167.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -65.78 146.31 54.93 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 117.881 0.84 . . . . 0.0 109.535 -176.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -70.79 -29.11 65.2 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -172.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -158.48 177.71 10.94 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 126.157 1.783 . . . . 0.0 108.328 -175.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -86.37 141.08 29.45 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 160.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.418 ' C ' HE22 ' A' ' 22' ' ' GLN . 45.3 m -134.24 152.74 51.98 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 119.616 1.098 . . . . 0.0 112.431 -170.445 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 26.0 mt -94.59 125.36 47.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 104.403 -2.443 . . . . 0.0 104.403 167.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 73.5 t -130.25 157.24 42.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 123.915 0.886 . . . . 0.0 108.752 -169.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -137.91 -3.16 1.84 Allowed 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.927 1.291 . . . . 0.0 111.849 -178.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.1 m . . . . . 0 C--O 1.249 1.044 0 C-N-CA 125.298 1.439 . . . . 0.0 110.551 -178.506 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 mmt . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.83 0.348 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -142.08 175.16 9.96 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 125.737 1.615 . . . . 0.0 108.083 177.441 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -152.75 149.98 28.93 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 123.335 0.654 . . . . 0.0 109.385 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -144.59 169.83 17.22 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 123.438 0.695 . . . . 0.0 111.181 169.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -128.33 137.41 51.92 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 105.769 -1.938 . . . . 0.0 105.769 168.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.7 mt -134.22 136.68 52.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 -177.138 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.6 mp -117.55 140.12 41.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 N-CA-C 104.961 -2.237 . . . . 0.0 104.961 176.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.7 t -136.85 139.38 44.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 N-CA-C 107.316 -1.365 . . . . 0.0 107.316 -170.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -141.27 152.93 44.92 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 125.108 1.363 . . . . 0.0 109.442 -176.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.95 -156.81 22.71 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 109.419 -1.472 . . . . 0.0 109.419 -174.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -72.07 82.56 0.97 Allowed 'General case' 0 C--O 1.227 -0.129 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 164.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.5 m -132.48 -14.73 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 124.774 1.23 . . . . 0.0 111.014 173.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -98.53 -28.05 13.76 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 121.182 -0.949 . . . . 0.0 111.274 -178.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.48 11.29 61.69 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 124.144 0.878 . . . . 0.0 112.457 176.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.0 m -141.92 163.72 19.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 C-N-CA 127.213 2.205 . . . . 0.0 106.808 -177.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.51 35.55 2.02 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 124.121 0.867 . . . . 0.0 113.617 -173.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -56.1 -37.14 68.97 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 118.941 1.371 . . . . 0.0 112.257 -171.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.4 mtm-85 -58.86 -35.41 72.92 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.213 -0.929 . . . . 0.0 111.396 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -72.5 -39.71 67.42 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.539 0.609 . . . . 0.0 110.626 175.249 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -57.0 -50.06 73.88 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.843 0.747 . . . . 0.0 109.711 175.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.2 t -58.48 -43.0 85.9 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 123.894 0.878 . . . . 0.0 109.848 177.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.409 HE22 ' C ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -56.38 -51.18 69.29 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-N 119.444 1.02 . . . . 0.0 110.611 178.125 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 77.1 mtm -70.67 -37.85 73.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 119.516 -0.278 . . . . 0.0 110.589 -173.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -68.3 -33.0 73.54 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.328 0.513 . . . . 0.0 111.573 178.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.38 -44.17 68.58 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 118.75 0.705 . . . . 0.0 110.561 173.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -65.39 -45.01 85.71 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 123.838 0.855 . . . . 0.0 111.357 -175.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -15.84 62.8 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 121.729 -0.607 . . . . 0.0 112.452 176.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -107.18 12.0 28.82 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.776 1.23 . . . . 0.0 111.155 175.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt 49.66 34.74 7.61 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.937 2.095 . . . . 0.0 113.367 177.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.1 mt -75.46 168.15 20.55 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 121.909 -0.494 . . . . 0.0 109.726 172.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -137.67 151.88 48.72 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 124.414 1.085 . . . . 0.0 109.145 173.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 140.88 -149.01 20.67 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -173.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 3.7 p90 -137.28 163.08 31.8 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -178.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.1 p -131.75 139.46 50.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 N-CA-C 106.333 -1.728 . . . . 0.0 106.333 159.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -153.29 162.08 41.68 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 122.951 0.5 . . . . 0.0 112.064 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -64.93 130.05 41.97 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 159.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.2 ttt85 -88.81 154.95 19.85 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 174.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -58.36 -32.76 68.86 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.287 0.635 . . . . 0.0 112.689 -175.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -68.27 -17.82 64.38 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.945 0.898 . . . . 0.0 112.862 177.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.81 3.56 52.22 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.238 1.399 . . . . 0.0 112.931 -178.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -81.04 175.19 10.89 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 118.99 1.395 . . . . 0.0 109.098 171.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.2 t -96.3 145.6 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 106.391 -1.707 . . . . 0.0 106.391 166.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -128.18 141.82 51.36 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 125.857 1.663 . . . . 0.0 107.223 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 27.8 mt -131.66 140.75 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 N-CA-C 104.32 -2.474 . . . . 0.0 104.32 -177.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.8 tt -144.18 119.96 10.54 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 105.523 -2.029 . . . . 0.0 105.523 174.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -141.05 141.97 34.23 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 121.284 0.564 . . . . 0.0 111.021 -173.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -110.68 144.4 39.67 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 128.191 2.596 . . . . 0.0 107.359 174.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 169.85 -174.43 44.05 Favored Glycine 0 CA--C 1.527 0.812 0 CA-C-O 119.615 -0.547 . . . . 0.0 112.461 172.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -69.89 153.88 67.84 Favored 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 122.282 1.988 . . . . 0.0 110.108 172.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -57.65 -46.94 83.55 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.548 0.739 . . . . 0.0 111.62 -168.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -74.0 -29.19 61.83 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 119.18 0.9 . . . . 0.0 112.42 -174.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.89 -45.23 90.28 Favored 'General case' 0 CA--C 1.527 0.091 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 171.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 51.7 mt -62.65 -42.79 99.8 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 118.421 -0.8 . . . . 0.0 110.832 177.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -57.89 -49.76 75.63 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 119.885 1.22 . . . . 0.0 110.411 175.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.2 m -56.51 -40.2 74.6 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.064 0.546 . . . . 0.0 110.105 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -70.6 -32.43 69.8 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-O 117.17 -1.395 . . . . 0.0 111.507 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.69 -45.07 99.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-N 121.597 1.998 . . . . 0.0 109.02 169.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -59.36 -38.3 80.08 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.924 0.784 . . . . 0.0 110.565 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.54 -50.97 61.4 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.054 0.542 . . . . 0.0 111.335 173.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.7 t -64.16 -44.06 97.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 124.176 0.99 . . . . 0.0 110.823 -173.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.1 pttt -65.41 -24.34 67.18 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 119.118 0.872 . . . . 0.0 112.307 -175.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -67.79 -27.55 66.84 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.338 0.517 . . . . 0.0 111.389 173.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.37 -175.65 36.07 Favored Glycine 0 CA--C 1.534 1.233 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 -155.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 91.1 p -66.14 161.59 54.9 Favored Pre-proline 0 CA--C 1.539 0.528 0 O-C-N 121.054 -1.262 . . . . 0.0 108.355 161.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_exo -46.95 -27.16 5.55 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 123.458 2.772 . . . . 0.0 114.62 163.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -85.29 -24.25 27.79 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.64 0.776 . . . . 0.0 111.937 177.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.9 m -73.32 171.66 12.64 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.832 0.853 . . . . 0.0 112.257 -176.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -141.79 98.47 3.35 Favored 'General case' 0 C--N 1.334 -0.073 0 N-CA-C 105.704 -1.961 . . . . 0.0 105.704 159.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.4 t -64.71 135.68 27.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 107.1 -1.444 . . . . 0.0 107.1 169.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.5 p -120.28 -17.81 8.15 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.883 0.873 . . . . 0.0 110.926 174.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -153.26 146.93 25.11 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.317 1.047 . . . . 0.0 109.14 171.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.0 tt -147.41 142.55 19.94 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 125.463 1.505 . . . . 0.0 107.519 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.2 m -138.71 154.62 48.59 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 125.498 1.519 . . . . 0.0 108.819 -178.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 50.8 t -137.0 146.14 28.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 C-N-CA 124.265 1.026 . . . . 0.0 109.099 -169.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -134.34 153.1 52.07 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 127.602 2.361 . . . . 0.0 105.568 171.231 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -127.2 152.45 47.35 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.662 1.119 . . . . 0.0 108.882 -177.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.1 p -148.26 165.65 30.35 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.967 0.907 . . . . 0.0 110.189 -177.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 49.0 mtm105 -136.37 47.4 2.2 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 105.953 -1.869 . . . . 0.0 105.953 176.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.7 m -134.66 36.96 3.11 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.401 -152.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.6 mp -24.17 109.88 0.03 OUTLIER 'General case' 0 C--O 1.235 0.327 0 C-N-CA 129.977 3.311 . . . . 0.0 112.79 -170.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -56.8 -33.31 66.56 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.505 1.122 . . . . 0.0 111.331 176.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 61.24 28.06 68.56 Favored Glycine 0 CA--C 1.532 1.129 0 C-N-CA 124.174 0.892 . . . . 0.0 111.95 -174.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -65.96 150.72 48.19 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.535 0.734 . . . . 0.0 110.254 -174.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -67.84 -30.22 69.55 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.37 0.508 . . . . 0.0 112.37 -174.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -159.34 -175.24 5.1 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 126.108 1.763 . . . . 0.0 107.906 -177.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -93.43 129.47 39.59 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 117.371 -1.3 . . . . 0.0 107.563 164.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.409 ' C ' HE22 ' A' ' 22' ' ' GLN . 27.1 m -132.57 143.85 49.99 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 120.113 1.324 . . . . 0.0 113.043 -170.469 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 8.9 mt -80.3 137.08 22.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 N-CA-C 105.577 -2.009 . . . . 0.0 105.577 168.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 47.5 t -133.55 143.53 38.62 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 -178.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -148.64 6.49 0.73 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.389 1.076 . . . . 0.0 111.967 -177.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.5 m . . . . . 0 C--O 1.251 1.18 0 C-N-CA 125.582 1.553 . . . . 0.0 110.899 -179.676 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 mmt . . . . . 0 N--CA 1.485 1.321 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 59.8 mt -137.18 177.06 8.16 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 125.232 1.413 . . . . 0.0 108.374 175.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -139.33 153.03 47.65 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 125.479 1.511 . . . . 0.0 108.05 175.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -141.18 166.29 25.19 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 122.796 0.438 . . . . 0.0 110.61 161.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.5 ttm-85 -121.75 139.34 53.71 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 105.73 -1.952 . . . . 0.0 105.73 163.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.3 mt -132.98 136.81 54.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 105.963 -1.866 . . . . 0.0 105.963 -177.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.1 mm -110.66 141.24 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 174.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.8 t -136.54 137.24 47.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 -175.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -139.18 152.23 47.22 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 125.141 1.376 . . . . 0.0 108.68 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 138.91 -156.39 24.29 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 -174.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -74.2 77.26 1.79 Allowed 'General case' 0 C--O 1.232 0.157 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 167.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.7 m -134.82 -0.31 1.14 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 124.468 1.107 . . . . 0.0 111.387 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -124.58 -23.93 4.3 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.991 0.916 . . . . 0.0 111.849 -174.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.17 5.38 77.0 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 123.593 0.616 . . . . 0.0 111.972 166.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.9 m -142.91 161.91 17.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 C-N-CA 127.023 2.129 . . . . 0.0 107.424 -176.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.47 41.46 2.68 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 124.63 1.11 . . . . 0.0 113.627 -171.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -52.65 -37.81 59.22 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 118.872 1.336 . . . . 0.0 112.19 -174.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.4 mtm-85 -53.83 -37.16 63.3 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.519 0.728 . . . . 0.0 111.805 177.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -69.49 -43.2 73.65 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 119.255 0.934 . . . . 0.0 110.709 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -59.87 -46.26 89.88 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-N 118.716 0.689 . . . . 0.0 110.103 177.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.4 t -59.29 -43.74 90.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 123.063 0.545 . . . . 0.0 109.938 175.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -56.14 -47.71 77.65 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 118.717 0.69 . . . . 0.0 110.689 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 36.7 mmt -74.05 -36.24 64.35 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 122.456 0.302 . . . . 0.0 110.626 -173.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -68.96 -30.43 68.87 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.463 0.574 . . . . 0.0 111.656 176.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.42 -43.76 63.39 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 118.975 0.807 . . . . 0.0 110.369 172.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -64.73 -40.93 96.16 Favored 'General case' 0 C--O 1.229 0.021 0 C-N-CA 123.821 0.848 . . . . 0.0 111.565 -176.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -15.82 63.94 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.171 0.896 . . . . 0.0 112.547 176.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.7 mmm-85 -100.8 0.14 38.16 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.02 0.928 . . . . 0.0 111.917 170.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt 42.3 43.43 2.96 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.279 1.832 . . . . 0.0 112.136 -169.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.58 166.83 14.15 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 164.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -132.51 152.22 51.64 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 123.957 0.903 . . . . 0.0 108.922 175.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 137.88 -153.49 22.23 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.652 -0.579 . . . . 0.0 111.652 -169.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.0 p90 -138.47 163.75 31.14 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 117.945 0.872 . . . . 0.0 112.446 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.3 p -128.1 143.24 41.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 154.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -153.19 161.6 42.25 Favored 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 123.094 0.558 . . . . 0.0 111.97 -176.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -65.9 127.96 34.12 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 156.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 44.9 ttt85 -88.93 155.1 19.72 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 172.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -58.11 -32.49 68.17 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.659 0.784 . . . . 0.0 112.934 -174.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -67.24 -17.86 64.98 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.951 0.901 . . . . 0.0 112.869 176.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.87 1.63 56.18 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 125.104 1.335 . . . . 0.0 112.521 -177.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -78.71 175.32 10.54 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 119.248 1.524 . . . . 0.0 108.953 170.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.0 t -95.62 144.76 9.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 105.619 -1.993 . . . . 0.0 105.619 166.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -123.11 137.7 54.85 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 106.944 -1.502 . . . . 0.0 106.944 172.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.6 mt -119.92 142.07 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.675 0 N-CA-C 104.213 -2.514 . . . . 0.0 104.213 173.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.7 tt -142.95 121.92 12.8 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 104.97 -2.233 . . . . 0.0 104.97 173.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -138.76 148.38 43.79 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.039 0.535 . . . . 0.0 109.805 -175.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -124.39 153.25 42.16 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 125.525 1.53 . . . . 0.0 108.78 169.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.67 -170.21 36.55 Favored Glycine 0 CA--C 1.528 0.903 0 CA-C-O 119.758 -0.468 . . . . 0.0 112.543 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -56.48 149.32 57.77 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 124.022 3.148 . . . . 0.0 111.639 170.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -59.71 -44.57 93.64 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.1 0.56 . . . . 0.0 110.869 -179.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -62.64 -42.8 99.8 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 118.507 0.594 . . . . 0.0 111.275 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.32 -45.34 88.32 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 122.685 0.394 . . . . 0.0 110.084 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.0 mt -62.81 -47.12 84.82 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.378 0.671 . . . . 0.0 110.571 178.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -61.22 -45.32 95.06 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.287 0.949 . . . . 0.0 110.552 179.142 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.6 m -59.7 -36.66 76.96 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.585 0.354 . . . . 0.0 110.723 176.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -71.58 -32.15 67.75 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 117.807 -1.092 . . . . 0.0 111.411 178.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.2 t -62.46 -44.67 99.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-N 120.944 1.702 . . . . 0.0 109.153 168.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -61.0 -35.06 75.85 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 118.53 0.604 . . . . 0.0 111.193 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.49 -53.98 34.84 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.994 0.518 . . . . 0.0 110.709 171.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 38.3 t -60.52 -42.93 93.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 124.146 0.979 . . . . 0.0 111.03 -174.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -67.03 -14.47 62.93 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.188 0.903 . . . . 0.0 112.852 -177.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -64.15 -27.83 69.35 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 119.469 1.031 . . . . 0.0 111.178 170.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.83 -128.65 8.97 Favored Glycine 0 C--N 1.336 0.537 0 N-CA-C 105.461 -3.055 . . . . 0.0 105.461 -151.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 68.0 m -154.32 169.23 10.4 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 172.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_exo -47.49 -22.69 2.92 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 123.591 2.861 . . . . 0.0 115.071 170.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -134.74 32.91 3.24 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.187 1.395 . . . . 0.0 111.105 176.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.7 m -151.34 150.84 30.96 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 120.321 -1.487 . . . . 0.0 110.151 172.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -133.97 103.23 5.73 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 -177.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.5 p -61.63 138.12 22.68 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 161.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.8 p -123.77 -13.73 7.37 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.24 1.016 . . . . 0.0 110.798 170.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -151.45 144.15 24.36 Favored 'General case' 0 C--N 1.342 0.241 0 C-N-CA 124.605 1.162 . . . . 0.0 109.271 171.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 19.2 tt -143.57 146.33 21.3 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 125.2 1.4 . . . . 0.0 108.32 -176.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.9 m -139.11 151.65 46.86 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 125.516 1.526 . . . . 0.0 108.33 177.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 50.3 t -140.82 145.47 25.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 124.267 1.027 . . . . 0.0 109.059 -172.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.3 m -134.96 129.74 34.7 Favored 'General case' 0 CA--C 1.528 0.127 0 N-CA-C 105.805 -1.924 . . . . 0.0 105.805 160.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.09 149.09 26.14 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 172.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.78 137.35 25.04 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 -163.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.5 51.2 2.05 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 174.237 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.8 m -143.43 82.7 1.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 125.023 1.329 . . . . 0.0 108.092 -158.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.0 mp -62.78 145.86 53.89 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.21 0.604 . . . . 0.0 109.885 -179.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -84.81 -24.89 28.47 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.703 1.201 . . . . 0.0 110.831 171.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 64.54 29.31 74.8 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 123.911 0.767 . . . . 0.0 112.629 -177.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.77 168.85 17.94 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.011 0.905 . . . . 0.0 109.696 171.062 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 58.9 m80 -125.99 0.55 7.26 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.172 0.989 . . . . 0.0 112.211 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -150.08 168.94 22.45 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 125.481 1.512 . . . . 0.0 108.435 172.228 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -91.78 148.29 22.35 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 162.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.1 m -137.95 159.2 42.64 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 118.993 0.815 . . . . 0.0 111.79 -172.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 24.3 mt -104.34 134.15 46.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 104.359 -2.46 . . . . 0.0 104.359 166.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 52.0 t -133.09 146.02 33.15 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 -175.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -149.21 7.11 0.69 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.488 1.115 . . . . 0.0 111.953 -176.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.7 m . . . . . 0 C--O 1.25 1.107 0 C-N-CA 125.506 1.523 . . . . 0.0 110.883 -179.872 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.9 mtt . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 121.095 0.474 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 63.9 tp -135.17 166.74 22.39 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.33 1.852 . . . . 0.0 107.591 -173.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -139.05 151.59 46.89 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 124.643 1.177 . . . . 0.0 108.429 177.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -141.23 167.18 22.81 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.356 0.598 . . . . 0.0 110.988 165.098 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.7 ttt180 -126.91 134.67 50.4 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 105.42 -2.067 . . . . 0.0 105.42 168.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.4 mt -132.81 141.84 43.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 106.487 -1.671 . . . . 0.0 106.487 -176.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.6 mm -122.01 142.55 37.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 105.527 -2.027 . . . . 0.0 105.527 174.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.1 t -131.2 121.56 49.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 -177.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -99.61 135.85 40.42 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 126.166 1.786 . . . . 0.0 107.093 174.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.49 -174.28 38.86 Favored Glycine 0 C--N 1.334 0.447 0 CA-C-N 118.434 0.561 . . . . 0.0 113.003 -179.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -70.17 100.89 1.75 Allowed 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 104.979 -2.23 . . . . 0.0 104.979 153.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.3 m -141.89 -29.01 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -178.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -79.58 -51.84 8.77 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 120.803 -1.186 . . . . 0.0 111.207 -170.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.76 -32.07 70.42 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.82 -0.512 . . . . 0.0 111.82 -175.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.2 m -73.66 -6.68 8.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 124.581 1.152 . . . . 0.0 112.182 174.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.65 35.29 62.52 Favored Glycine 0 C--N 1.34 0.778 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.259 174.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -49.68 -39.32 36.2 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 118.48 1.14 . . . . 0.0 111.6 -179.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.2 ptt-85 -50.21 -33.62 20.05 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 177.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -72.38 -41.0 66.82 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 119.9 1.227 . . . . 0.0 110.149 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -61.18 -46.58 89.89 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 174.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.4 t -57.83 -43.96 85.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 123.295 0.638 . . . . 0.0 109.893 176.002 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -56.8 -49.94 73.84 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-N 118.612 0.642 . . . . 0.0 110.393 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 64.9 mtt -70.38 -37.96 74.65 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.735 -0.212 . . . . 0.0 110.509 -174.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -68.94 -32.75 72.58 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.213 0.46 . . . . 0.0 111.618 178.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.6 -45.07 69.44 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 118.836 0.744 . . . . 0.0 110.33 172.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -64.22 -45.48 88.04 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 123.836 0.855 . . . . 0.0 111.329 -175.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -21.39 66.54 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 118.558 0.617 . . . . 0.0 112.213 177.488 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.0 tpt85 -100.33 8.78 43.46 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.212 1.005 . . . . 0.0 111.388 176.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.4 mttt 49.01 35.07 6.25 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.741 2.016 . . . . 0.0 113.155 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.7 mt -73.4 165.42 25.11 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 170.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -134.09 148.11 50.97 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.196 0.998 . . . . 0.0 109.155 176.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 139.17 -151.46 21.82 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 -168.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 16.6 p90 -142.38 166.34 24.94 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 118.148 0.974 . . . . 0.0 112.995 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.1 p -129.17 147.17 33.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 159.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -147.7 155.73 42.04 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.813 0.845 . . . . 0.0 111.073 -177.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -71.92 163.9 27.03 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 161.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 71.9 mtp85 -123.13 144.46 49.31 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 166.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -62.23 -31.08 71.58 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 122.984 0.514 . . . . 0.0 111.533 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -68.55 -10.5 56.11 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.297 1.039 . . . . 0.0 113.521 176.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.75 -15.89 26.29 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 124.397 0.998 . . . . 0.0 113.194 173.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 -70.74 173.79 6.81 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 118.753 1.276 . . . . 0.0 111.25 175.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.1 t -116.55 148.83 19.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 105.067 -2.197 . . . . 0.0 105.067 162.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -131.87 140.72 49.19 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 -177.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.5 mt -135.03 140.28 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 N-CA-C 104.417 -2.438 . . . . 0.0 104.417 -169.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.9 tt -145.47 119.82 9.61 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 105.156 -2.165 . . . . 0.0 105.156 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -140.85 146.74 37.93 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 122.867 0.467 . . . . 0.0 110.311 -170.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -123.94 142.06 51.48 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 127.497 2.319 . . . . 0.0 106.898 176.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 171.27 -171.75 44.12 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.764 -0.534 . . . . 0.0 111.764 176.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -69.31 151.03 71.64 Favored 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 122.31 2.007 . . . . 0.0 109.726 169.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -59.42 -38.57 80.98 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.407 0.683 . . . . 0.0 111.522 -173.255 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -63.9 -43.88 94.67 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.075 0.852 . . . . 0.0 111.69 -178.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.0 -44.52 92.41 Favored 'General case' 0 C--N 1.339 0.126 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 176.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.1 mt -62.28 -45.48 93.07 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 118.868 -0.587 . . . . 0.0 110.843 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -63.86 -43.65 95.47 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 119.754 1.161 . . . . 0.0 110.713 178.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.6 m -57.57 -39.59 77.08 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.201 0.524 . . . . 0.0 110.383 174.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -70.33 -31.34 68.6 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 117.249 -1.358 . . . . 0.0 111.577 178.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.3 t -62.3 -45.22 99.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 121.448 1.931 . . . . 0.0 108.828 168.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -60.85 -35.72 77.3 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.732 0.696 . . . . 0.0 111.061 -179.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.28 -51.72 54.61 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.204 0.457 . . . . 0.0 111.345 171.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.1 t -63.47 -42.64 96.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 124.342 1.057 . . . . 0.0 111.106 -172.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -64.08 -18.83 64.76 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 119.288 0.949 . . . . 0.0 112.835 -175.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -67.42 -27.43 67.06 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.651 0.659 . . . . 0.0 111.77 173.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.22 -172.9 33.31 Favored Glycine 0 CA--C 1.534 1.264 0 N-CA-C 109.295 -1.522 . . . . 0.0 109.295 -154.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 80.1 p -67.42 162.16 58.56 Favored Pre-proline 0 CA--C 1.539 0.551 0 O-C-N 120.766 -1.432 . . . . 0.0 108.251 160.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.3 -2.39 1.3 Allowed 'Trans proline' 0 CA--C 1.546 1.084 0 C-N-CA 123.163 2.575 . . . . 0.0 114.546 167.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -113.84 -11.51 12.85 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.98 1.312 . . . . 0.0 111.675 174.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.6 m -72.99 171.16 13.35 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.79 0.836 . . . . 0.0 111.335 177.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -139.08 94.52 2.82 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 105.467 -2.049 . . . . 0.0 105.467 165.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.4 t -64.96 133.5 30.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 172.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.2 p -116.82 -20.32 9.51 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.803 1.241 . . . . 0.0 111.01 176.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -159.08 160.78 36.15 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 119.29 0.95 . . . . 0.0 109.429 164.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.8 tt -142.92 145.87 22.45 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 C-N-CA 125.365 1.466 . . . . 0.0 108.042 177.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.5 m -138.0 146.75 43.48 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 125.494 1.518 . . . . 0.0 108.186 -174.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.1 t -140.77 145.41 25.52 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 C-N-CA 124.144 0.978 . . . . 0.0 109.107 -172.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.3 m -132.97 139.27 47.2 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 105.62 -1.992 . . . . 0.0 105.62 162.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -119.26 142.02 48.44 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.71 134.0 20.63 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 -164.512 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 97.1 mtt-85 -86.44 53.99 3.0 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 168.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.8 m -138.18 96.17 3.14 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 -165.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.31 144.78 49.83 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -173.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -87.0 -19.63 28.42 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.705 1.202 . . . . 0.0 110.722 169.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 65.12 16.26 61.91 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.461 1.029 . . . . 0.0 112.903 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -72.32 162.97 28.74 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.119 0.968 . . . . 0.0 110.174 178.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -131.64 9.93 4.69 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.491 1.116 . . . . 0.0 111.451 -179.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -148.37 165.24 31.67 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 125.283 1.433 . . . . 0.0 108.114 174.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -96.45 150.75 20.26 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 162.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 55.0 m -137.53 161.35 36.62 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.648 0.779 . . . . 0.0 111.621 -175.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 30.5 mt -109.66 136.52 45.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 N-CA-C 105.114 -2.18 . . . . 0.0 105.114 166.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 95.5 t -133.94 152.25 34.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 -172.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -136.06 9.68 3.27 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.827 0.851 . . . . 0.0 112.245 -175.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.1 m . . . . . 0 C--O 1.252 1.195 0 C-N-CA 124.656 1.182 . . . . 0.0 110.528 176.54 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 80.7 mmm . . . . . 0 N--CA 1.482 1.128 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 62.2 tp -150.8 166.64 29.89 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.163 1.385 . . . . 0.0 108.394 -169.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -137.04 151.73 49.27 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.856 1.263 . . . . 0.0 107.962 176.573 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -140.57 164.28 30.59 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.134 0.493 . . . . 0.0 110.699 161.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.4 ttm-85 -115.11 140.29 49.19 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 105.554 -2.017 . . . . 0.0 105.554 160.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.8 mt -131.65 137.33 55.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 23.0 mm -113.57 141.6 28.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 105.358 -2.09 . . . . 0.0 105.358 175.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.7 t -136.82 139.62 44.41 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 -177.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -141.02 153.67 45.64 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 125.092 1.357 . . . . 0.0 109.657 -174.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.75 -156.34 22.06 Favored Glycine 0 CA--C 1.523 0.575 0 C-N-CA 125.586 1.565 . . . . 0.0 109.442 -175.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.5 ttt85 -72.1 83.6 0.99 Allowed 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 162.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.6 m -135.87 9.63 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 123.301 0.64 . . . . 0.0 112.235 -173.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -133.28 152.68 51.94 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 169.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.18 18.56 79.29 Favored Glycine 0 CA--C 1.535 1.288 0 CA-C-O 119.582 -0.565 . . . . 0.0 112.765 -171.144 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.2 m -137.08 23.59 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 C-N-CA 125.39 1.476 . . . . 0.0 110.89 -172.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 70.87 5.26 57.19 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 124.319 0.961 . . . . 0.0 114.161 175.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -61.83 -36.15 80.33 Favored 'General case' 0 C--N 1.339 0.118 0 CA-C-N 119.04 1.42 . . . . 0.0 112.531 -168.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -58.7 -40.39 83.51 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.55 1.068 . . . . 0.0 110.962 177.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -72.2 -37.56 69.24 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-O 118.913 -0.565 . . . . 0.0 110.616 177.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -57.41 -51.84 67.78 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.997 0.817 . . . . 0.0 109.728 175.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.2 t -58.76 -42.7 86.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 123.969 0.908 . . . . 0.0 109.671 177.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.402 HE22 ' C ' ' A' ' 87' ' ' SER . 1.2 tp-100 -56.73 -50.33 72.53 Favored 'General case' 0 C--N 1.342 0.252 0 CA-C-N 119.007 0.821 . . . . 0.0 111.097 179.275 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.0 mmt -73.62 -36.23 65.43 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 -172.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -68.59 -30.49 69.25 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 119.029 -0.51 . . . . 0.0 111.57 176.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.37 -43.88 63.35 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 118.955 0.798 . . . . 0.0 110.631 172.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -65.3 -45.48 84.2 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 123.917 0.887 . . . . 0.0 111.352 -175.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -14.94 54.76 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 118.535 0.607 . . . . 0.0 112.602 176.019 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.8 tpt85 -110.94 12.35 22.19 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.833 1.253 . . . . 0.0 111.071 178.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt 51.24 31.7 7.21 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.526 1.93 . . . . 0.0 113.236 176.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.9 mt -76.08 167.36 22.01 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.716 -0.615 . . . . 0.0 109.786 174.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.51 152.78 50.9 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 124.58 1.152 . . . . 0.0 109.019 171.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 141.28 -155.93 25.4 Favored Glycine 0 CA--C 1.532 1.108 0 CA-C-O 119.415 -0.658 . . . . 0.0 111.616 -166.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.7 p90 -140.19 164.07 31.04 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 118.544 1.172 . . . . 0.0 113.135 -177.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.7 p -132.92 137.91 52.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 C-N-CA 124.028 0.931 . . . . 0.0 108.799 159.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -161.62 174.58 13.11 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.839 1.256 . . . . 0.0 111.545 -173.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -71.46 165.98 22.69 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.634 -0.666 . . . . 0.0 110.226 164.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 48.1 ttt85 -128.53 151.94 48.86 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 169.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -56.07 -32.01 63.71 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -165.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -65.9 -20.95 66.4 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.709 0.804 . . . . 0.0 112.838 177.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.19 3.56 26.03 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 126.512 2.006 . . . . 0.0 112.835 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -86.29 172.43 10.47 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 118.481 1.14 . . . . 0.0 109.164 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.9 t -92.4 146.29 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 168.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -125.92 135.6 52.08 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 174.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.5 mt -124.31 142.14 42.11 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 N-CA-C 103.865 -2.643 . . . . 0.0 103.865 176.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.8 tt -143.82 123.73 13.51 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 105.194 -2.15 . . . . 0.0 105.194 176.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -142.96 148.93 37.67 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 118.614 0.643 . . . . 0.0 110.601 -173.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -127.06 143.66 51.23 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 126.674 1.99 . . . . 0.0 107.983 177.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 170.93 -171.68 43.97 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 123.725 0.678 . . . . 0.0 111.549 175.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -54.9 145.18 63.59 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 123.042 2.495 . . . . 0.0 110.777 166.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -59.17 -40.7 86.45 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 122.076 -0.39 . . . . 0.0 110.941 -177.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -64.36 -43.65 93.87 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 121.821 -0.549 . . . . 0.0 111.208 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.13 -44.44 94.93 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 123.104 0.562 . . . . 0.0 110.255 176.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.9 mt -64.17 -38.73 92.11 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 118.225 -0.893 . . . . 0.0 111.121 177.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -63.22 -45.55 91.12 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 120.293 1.406 . . . . 0.0 110.913 176.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.1 m -56.07 -38.51 70.74 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.703 0.683 . . . . 0.0 110.646 173.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -71.52 -31.46 67.08 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-O 117.405 -1.283 . . . . 0.0 111.928 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.9 t -63.65 -44.23 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 121.438 1.927 . . . . 0.0 108.599 169.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -60.41 -34.09 73.44 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.776 0.716 . . . . 0.0 111.393 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.23 -54.47 17.49 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.076 0.551 . . . . 0.0 111.219 171.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 28.8 t -61.67 -41.57 90.93 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 C-N-CA 124.346 1.058 . . . . 0.0 110.675 -172.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -64.58 -15.48 61.13 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -177.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -69.88 -27.5 64.86 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 119.244 0.929 . . . . 0.0 111.813 172.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.73 -175.38 30.67 Favored Glycine 0 CA--C 1.536 1.37 0 N-CA-C 109.413 -1.475 . . . . 0.0 109.413 -154.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.6 p -68.84 162.16 66.2 Favored Pre-proline 0 CA--C 1.538 0.502 0 O-C-N 120.896 -1.355 . . . . 0.0 108.524 163.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -48.73 -12.47 0.2 Allowed 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 124.315 3.343 . . . . 0.0 115.782 161.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -113.82 -7.07 13.24 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.992 1.317 . . . . 0.0 111.784 -178.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.2 m -81.03 171.68 14.67 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.687 1.195 . . . . 0.0 111.604 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -139.86 88.65 2.25 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 105.444 -2.058 . . . . 0.0 105.444 155.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.1 p -59.78 136.02 23.8 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 165.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.4 p -119.97 -16.55 8.62 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.358 1.063 . . . . 0.0 110.798 177.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -154.51 146.44 23.52 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 124.139 0.976 . . . . 0.0 109.612 174.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.2 tt -145.69 145.45 20.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 C-N-CA 125.873 1.669 . . . . 0.0 107.9 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.8 m -140.2 150.56 44.31 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 125.724 1.61 . . . . 0.0 108.523 -176.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.5 t -138.8 143.2 32.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 C-N-CA 124.308 1.043 . . . . 0.0 108.726 -171.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.2 m -139.09 112.15 7.97 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 106.581 -1.636 . . . . 0.0 106.581 172.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -75.2 157.01 35.21 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 121.758 -0.589 . . . . 0.0 109.588 171.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.9 m -162.79 175.31 11.41 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.055 1.742 . . . . 0.0 109.178 178.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -127.91 25.58 5.93 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.074 0.949 . . . . 0.0 110.476 174.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.6 m -86.12 74.77 10.01 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 176.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 26.5 mt -63.67 124.78 22.3 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.383 -160.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -78.17 65.91 3.65 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.456 1.502 . . . . 0.0 108.353 165.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -69.31 12.26 1.32 Allowed Glycine 0 CA--C 1.537 1.464 0 C-N-CA 125.471 1.51 . . . . 0.0 113.447 175.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -52.75 159.76 1.04 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.121 1.768 . . . . 0.0 112.178 170.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 -69.49 -27.49 65.26 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.807 0.843 . . . . 0.0 113.268 -172.072 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -147.15 167.29 24.52 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 118.985 0.811 . . . . 0.0 111.449 -170.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -86.32 148.3 25.67 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 162.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.402 ' C ' HE22 ' A' ' 22' ' ' GLN . 50.2 m -138.58 158.7 43.76 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.072 0.851 . . . . 0.0 112.004 -170.147 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.4 mt -105.39 143.83 15.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 105.238 -2.134 . . . . 0.0 105.238 169.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.3 t -117.37 133.83 62.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 103.836 -2.653 . . . . 0.0 103.836 161.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -92.12 -7.67 47.89 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -165.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.5 m . . . . . 0 C--O 1.247 0.971 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 163.269 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.485 1.287 0 CA-C-O 120.962 0.41 . . . . 0.0 110.112 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 25.1 tp -134.82 176.45 8.64 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 126.026 1.73 . . . . 0.0 107.441 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -145.62 157.88 43.92 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.953 1.301 . . . . 0.0 108.548 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -146.12 168.85 19.95 Favored 'General case' 0 C--O 1.235 0.338 0 O-C-N 121.768 -0.582 . . . . 0.0 110.429 162.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -125.43 138.04 54.01 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 105.553 -2.017 . . . . 0.0 105.553 165.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.8 mt -133.63 138.5 50.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 106.284 -1.747 . . . . 0.0 106.284 -174.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.6 mm -116.2 139.66 41.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 105.23 -2.137 . . . . 0.0 105.23 173.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.6 t -132.55 136.11 56.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 -176.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -135.04 147.87 49.75 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 125.116 1.366 . . . . 0.0 108.668 -172.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.78 -156.82 22.68 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 -175.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -73.93 88.96 1.86 Allowed 'General case' 0 C--O 1.23 0.072 0 N-CA-C 106.83 -1.545 . . . . 0.0 106.83 165.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.6 m -130.48 11.26 2.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 124.74 1.216 . . . . 0.0 110.588 175.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -131.2 161.3 32.51 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 126.39 1.876 . . . . 0.0 106.869 169.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 60.87 20.66 57.62 Favored Glycine 0 CA--C 1.535 1.323 0 O-C-N 121.682 -0.636 . . . . 0.0 111.659 -163.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.5 m -148.26 151.85 13.0 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 C-N-CA 128.887 2.875 . . . . 0.0 104.456 173.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.1 35.04 2.15 Favored Glycine 0 CA--C 1.529 0.921 0 CA-C-O 119.315 -0.714 . . . . 0.0 113.674 -170.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -58.84 -37.74 77.13 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.85 1.325 . . . . 0.0 112.671 -169.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.9 mtm-85 -58.32 -39.7 80.13 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.136 0.88 . . . . 0.0 110.921 176.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -71.11 -38.89 72.34 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 118.572 0.624 . . . . 0.0 110.592 176.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -56.91 -52.64 64.36 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 119.104 0.865 . . . . 0.0 109.855 175.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.6 t -58.68 -41.58 82.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 123.732 0.813 . . . . 0.0 109.717 177.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -56.85 -50.62 71.88 Favored 'General case' 0 C--N 1.339 0.128 0 CA-C-N 118.729 0.695 . . . . 0.0 110.897 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 76.6 mtm -71.29 -36.69 71.76 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 119.457 -0.306 . . . . 0.0 110.181 -174.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -67.91 -30.86 70.3 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 118.287 0.494 . . . . 0.0 111.85 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.4 -43.02 61.39 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 118.912 0.778 . . . . 0.0 110.682 172.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -65.93 -44.48 85.0 Favored 'General case' 0 CA--C 1.527 0.075 0 C-N-CA 123.897 0.879 . . . . 0.0 111.302 -175.102 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -17.26 62.43 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 118.432 0.56 . . . . 0.0 112.349 175.288 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.6 tpt85 -105.82 8.43 32.78 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.731 1.213 . . . . 0.0 111.286 177.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp 49.16 33.61 5.14 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.89 2.076 . . . . 0.0 112.984 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.0 mt -75.59 166.09 24.1 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 121.772 -0.58 . . . . 0.0 109.741 173.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -132.57 149.03 52.38 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 124.354 1.061 . . . . 0.0 108.691 173.378 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 146.34 -162.42 28.42 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.531 -0.628 . . . . 0.0 111.531 -165.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 3.2 p90 -137.0 162.44 33.3 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 124.048 0.939 . . . . 0.0 112.144 177.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.3 p -131.21 142.08 44.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 158.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -153.79 155.13 35.27 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 124.124 0.969 . . . . 0.0 110.59 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -69.95 159.56 33.51 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 169.277 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 -120.31 132.61 55.37 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 167.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -59.99 -25.75 65.51 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.353 1.061 . . . . 0.0 112.624 -176.181 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.3 -21.16 63.69 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.9 0.88 . . . . 0.0 112.579 174.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.74 13.64 5.52 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 125.093 1.33 . . . . 0.0 113.238 175.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -113.15 -179.62 3.69 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 119.471 1.635 . . . . 0.0 109.292 -175.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 76.4 t -120.39 146.03 25.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 166.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -120.48 138.19 53.95 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 125.461 1.504 . . . . 0.0 107.023 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.0 mt -128.91 140.99 47.78 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 N-CA-C 104.568 -2.382 . . . . 0.0 104.568 177.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.8 tt -143.28 124.67 14.7 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 105.118 -2.179 . . . . 0.0 105.118 176.216 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -142.54 151.34 41.51 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 118.527 0.603 . . . . 0.0 109.992 -174.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -129.28 155.03 46.24 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 125.453 1.501 . . . . 0.0 109.177 168.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.75 -170.1 36.58 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.336 -0.706 . . . . 0.0 111.336 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -54.11 141.07 70.15 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 123.271 2.647 . . . . 0.0 110.728 168.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -63.3 -30.01 71.23 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.93 -0.481 . . . . 0.0 111.809 -179.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -67.43 -47.6 69.74 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 121.379 -0.826 . . . . 0.0 110.612 176.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.82 -44.45 94.02 Favored 'General case' 0 C--O 1.23 0.077 0 C-N-CA 123.433 0.693 . . . . 0.0 110.295 177.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 43.0 mt -61.92 -42.92 99.65 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 118.592 -0.718 . . . . 0.0 111.011 178.163 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -62.91 -46.17 89.06 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 119.854 1.207 . . . . 0.0 111.021 178.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.9 m -58.16 -36.52 73.14 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.602 0.637 . . . . 0.0 111.154 174.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -69.76 -32.94 71.72 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 117.427 -1.273 . . . . 0.0 111.42 178.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.5 t -62.69 -44.09 99.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-N 121.355 1.889 . . . . 0.0 109.111 168.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -60.13 -35.03 74.37 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.121 0.873 . . . . 0.0 111.162 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.51 -52.57 37.45 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 122.973 0.509 . . . . 0.0 111.21 171.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.1 t -62.79 -43.03 98.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 124.296 1.039 . . . . 0.0 110.93 -173.199 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -65.53 -18.07 65.04 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 118.713 0.688 . . . . 0.0 112.695 -175.089 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -69.72 -25.23 63.75 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 118.828 0.74 . . . . 0.0 111.578 172.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.35 -178.97 21.49 Favored Glycine 0 CA--C 1.534 1.237 0 N-CA-C 109.406 -1.478 . . . . 0.0 109.406 -153.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.0 p -68.83 159.52 81.97 Favored Pre-proline 0 CA--C 1.536 0.416 0 O-C-N 120.866 -1.373 . . . . 0.0 107.711 159.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -47.49 -27.25 7.15 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 123.298 2.666 . . . . 0.0 114.305 164.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -84.36 -27.62 27.58 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.671 0.788 . . . . 0.0 111.999 177.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 55.6 m -71.82 169.24 16.18 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 123.807 0.843 . . . . 0.0 111.573 -176.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -138.67 84.4 2.02 Favored 'General case' 0 N--CA 1.457 -0.105 0 N-CA-C 105.882 -1.896 . . . . 0.0 105.882 161.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.1 p -59.56 135.61 23.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 N-CA-C 107.316 -1.364 . . . . 0.0 107.316 165.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.8 p -119.59 -17.64 8.62 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.629 1.172 . . . . 0.0 110.599 177.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -154.77 150.5 27.61 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.253 1.021 . . . . 0.0 109.459 172.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.3 tt -145.88 145.85 19.84 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 125.649 1.58 . . . . 0.0 107.912 -178.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.7 m -137.7 144.97 42.01 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 125.893 1.677 . . . . 0.0 108.002 -174.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.0 t -137.48 143.98 32.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 124.148 0.979 . . . . 0.0 108.554 -173.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 57.6 m -135.81 114.41 11.83 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 105.609 -1.997 . . . . 0.0 105.609 171.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -77.21 148.37 35.89 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 171.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.6 m -151.6 169.05 23.06 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.906 1.283 . . . . 0.0 109.971 -168.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -141.54 29.13 1.77 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.842 0.857 . . . . 0.0 109.409 164.36 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.1 m -87.27 60.01 5.88 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.065 1.746 . . . . 0.0 107.587 -176.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 36.0 mt -53.0 141.91 21.07 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 124.581 1.152 . . . . 0.0 111.476 -162.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.35 -19.73 13.18 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.802 1.641 . . . . 0.0 110.82 -173.121 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.21 16.03 78.7 Favored Glycine 0 CA--C 1.528 0.848 0 CA-C-O 118.689 -1.062 . . . . 0.0 114.897 154.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -68.67 163.69 23.27 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 119.322 1.561 . . . . 0.0 109.784 169.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 24.3 p-80 -103.9 -2.01 26.84 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.708 0.803 . . . . 0.0 112.455 -178.318 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.55 162.86 40.64 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 124.265 1.026 . . . . 0.0 109.76 178.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -79.73 157.82 27.06 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 176.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.44 149.33 46.79 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.368 0.667 . . . . 0.0 110.949 -167.353 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 35.8 mt -104.68 135.89 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 104.473 -2.417 . . . . 0.0 104.473 162.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 61.9 t -130.98 145.5 35.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 -179.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -148.85 6.61 0.71 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.398 1.079 . . . . 0.0 112.001 -174.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.7 m . . . . . 0 C--O 1.248 1.023 0 C-N-CA 125.494 1.518 . . . . 0.0 110.949 -179.884 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 mmt . . . . . 0 N--CA 1.487 1.378 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 48.1 mt -129.42 -179.4 5.13 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 125.095 1.358 . . . . 0.0 108.111 171.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -152.0 149.84 29.32 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 125.988 1.715 . . . . 0.0 107.399 -170.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -146.47 166.18 27.2 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.995 0.426 . . . . 0.0 110.754 164.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.6 ttm-85 -118.27 141.89 48.05 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 105.601 -2.0 . . . . 0.0 105.601 158.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.8 mt -130.82 145.21 35.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 105.824 -1.917 . . . . 0.0 105.824 -178.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 21.0 mm -122.44 140.81 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 105.156 -2.165 . . . . 0.0 105.156 175.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.1 t -136.85 143.67 34.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 N-CA-C 107.019 -1.474 . . . . 0.0 107.019 -173.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -143.46 152.15 41.18 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 124.796 1.238 . . . . 0.0 109.267 -177.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 138.0 -156.56 23.89 Favored Glycine 0 CA--C 1.525 0.658 0 C-N-CA 124.971 1.272 . . . . 0.0 110.067 -176.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.3 ttp-105 -73.56 87.03 1.61 Allowed 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 161.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.3 m -133.59 13.49 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 C-N-CA 124.053 0.941 . . . . 0.0 111.158 -177.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.3 mp0 -138.88 164.47 29.59 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 125.784 1.633 . . . . 0.0 107.429 168.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.86 -51.53 3.81 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 109.357 -1.497 . . . . 0.0 109.357 -170.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.2 m -59.09 148.19 7.13 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 154.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.19 37.62 2.19 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 124.19 0.9 . . . . 0.0 112.715 -175.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -59.23 -39.43 82.71 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-N 118.052 0.926 . . . . 0.0 112.326 -166.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -59.81 -32.5 70.7 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.491 1.041 . . . . 0.0 111.792 178.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -73.67 -39.34 64.51 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.775 0.716 . . . . 0.0 109.898 176.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -55.9 -52.67 63.28 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.692 0.678 . . . . 0.0 109.439 174.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.4 t -57.8 -43.41 84.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 124.009 0.924 . . . . 0.0 110.003 178.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -55.65 -48.9 74.23 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.847 0.749 . . . . 0.0 110.652 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 76.8 mtm -73.81 -34.61 64.68 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 119.442 -0.313 . . . . 0.0 111.005 -174.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -70.94 -30.34 66.62 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.986 0.812 . . . . 0.0 111.55 176.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.23 -45.42 69.84 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 119.17 0.895 . . . . 0.0 109.845 170.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -63.66 -39.34 94.08 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 123.584 0.754 . . . . 0.0 111.761 -177.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.11 -26.01 67.26 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 119.367 0.985 . . . . 0.0 111.584 177.275 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -90.55 -0.43 57.67 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.97 0.908 . . . . 0.0 112.344 171.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm 46.09 39.0 5.33 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.088 1.755 . . . . 0.0 112.541 -172.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.6 mt -73.02 165.73 24.46 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 167.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.03 149.05 48.64 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.207 1.003 . . . . 0.0 108.875 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 142.64 -146.82 18.01 Favored Glycine 0 CA--C 1.531 1.086 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -167.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.4 p90 -146.71 169.01 19.93 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.013 0.907 . . . . 0.0 113.281 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 p -130.46 144.0 39.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 160.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -151.79 151.36 31.26 Favored 'General case' 0 CA--C 1.519 -0.246 0 O-C-N 121.745 -0.597 . . . . 0.0 111.153 176.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -66.25 149.85 49.71 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 160.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -106.94 139.86 40.67 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 168.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -58.54 -28.2 65.25 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.68 0.792 . . . . 0.0 112.647 -175.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -59.29 -31.52 69.21 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.91 0.884 . . . . 0.0 112.51 174.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.76 3.65 10.96 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 124.935 1.255 . . . . 0.0 113.474 -178.046 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.91 -179.71 5.55 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 119.685 1.742 . . . . 0.0 109.492 171.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 76.0 t -118.93 152.21 21.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 167.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -125.65 144.21 50.69 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 125.428 1.491 . . . . 0.0 107.617 177.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -120.54 147.96 24.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 N-CA-C 104.877 -2.268 . . . . 0.0 104.877 168.627 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.5 tt -144.1 126.68 16.0 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 105.239 -2.134 . . . . 0.0 105.239 168.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -142.76 156.13 44.95 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 118.483 0.583 . . . . 0.0 109.788 -178.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -135.23 155.05 51.31 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 125.677 1.591 . . . . 0.0 109.008 166.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 156.74 -166.72 33.48 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 123.626 0.631 . . . . 0.0 111.641 -178.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -57.22 143.19 94.14 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 123.687 2.925 . . . . 0.0 111.159 172.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -42.23 89.21 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 122.981 0.512 . . . . 0.0 112.115 -179.03 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -67.8 -38.07 82.82 Favored 'General case' 0 C--O 1.233 0.224 0 O-C-N 121.465 -0.772 . . . . 0.0 111.364 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.85 -44.08 90.91 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 122.761 0.424 . . . . 0.0 110.042 175.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.4 mt -61.84 -46.53 89.07 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.806 0.842 . . . . 0.0 110.513 177.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -61.42 -44.56 96.92 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 119.265 0.939 . . . . 0.0 110.622 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.1 m -58.7 -37.75 76.78 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 120.969 0.414 . . . . 0.0 110.688 176.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -70.66 -31.09 67.88 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 117.509 -1.234 . . . . 0.0 111.683 176.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.2 t -62.76 -44.31 99.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-N 121.289 1.859 . . . . 0.0 109.179 168.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -59.07 -37.97 78.34 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.051 0.841 . . . . 0.0 110.41 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.81 -51.18 58.65 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 122.791 0.436 . . . . 0.0 111.547 174.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 31.6 t -63.3 -44.69 99.25 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 124.219 1.008 . . . . 0.0 110.564 -175.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.9 pttt -65.68 -22.4 66.63 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.824 0.738 . . . . 0.0 112.408 -172.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -66.49 -27.95 68.19 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.265 0.484 . . . . 0.0 111.48 173.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.0 -177.74 38.13 Favored Glycine 0 CA--C 1.531 1.065 0 N-CA-C 109.354 -1.498 . . . . 0.0 109.354 -155.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 96.3 p -66.2 160.22 66.17 Favored Pre-proline 0 CA--C 1.539 0.522 0 O-C-N 121.084 -1.245 . . . . 0.0 108.022 158.171 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_exo -46.62 -26.33 4.28 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 123.439 2.759 . . . . 0.0 114.818 164.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -86.8 -26.69 23.97 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.636 0.774 . . . . 0.0 111.981 177.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.9 m -70.72 172.75 8.19 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.133 0.973 . . . . 0.0 111.373 -178.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -142.09 97.99 3.24 Favored 'General case' 0 CA--C 1.522 -0.097 0 N-CA-C 105.869 -1.9 . . . . 0.0 105.869 160.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 67.5 t -64.26 135.66 27.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 168.038 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.5 p -118.2 -18.97 9.19 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.994 0.918 . . . . 0.0 110.697 174.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -154.86 150.07 27.07 Favored 'General case' 0 C--N 1.341 0.22 0 C-N-CA 124.198 0.999 . . . . 0.0 109.301 172.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.0 tt -148.27 146.24 17.93 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 125.517 1.527 . . . . 0.0 107.975 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.6 m -139.86 149.76 43.81 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 126.003 1.721 . . . . 0.0 108.275 -176.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.4 t -138.39 144.37 30.49 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 124.17 0.988 . . . . 0.0 108.702 -172.175 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.1 m -134.91 103.96 5.79 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 105.781 -1.933 . . . . 0.0 105.781 170.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -74.43 149.53 40.37 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 170.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.3 m -148.75 163.84 36.15 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.335 1.454 . . . . 0.0 109.722 -171.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 60.5 ttp85 -144.06 47.77 1.41 Allowed 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.368 1.067 . . . . 0.0 108.697 176.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.0 m -134.65 59.62 1.73 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.961 2.104 . . . . 0.0 106.272 -172.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.5 mt -49.14 148.37 2.48 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 126.897 2.079 . . . . 0.0 113.705 -157.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -68.2 -40.09 82.27 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.405 1.082 . . . . 0.0 109.301 172.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 62.29 38.08 95.64 Favored Glycine 0 CA--C 1.533 1.198 0 N-CA-C 110.297 -1.121 . . . . 0.0 110.297 -166.025 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.55 166.28 22.14 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.728 1.211 . . . . 0.0 109.992 -178.581 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -129.53 3.75 5.07 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.046 0.939 . . . . 0.0 112.001 -178.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.9 ptt85 -154.21 157.5 38.88 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 125.612 1.565 . . . . 0.0 108.582 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -86.21 149.15 25.29 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 154.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 m -138.73 162.43 34.71 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 122.842 0.457 . . . . 0.0 111.168 -167.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 24.7 mt -118.3 139.53 45.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 N-CA-C 105.927 -1.879 . . . . 0.0 105.927 169.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -132.88 167.96 25.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 C-N-CA 124.382 1.073 . . . . 0.0 108.578 174.185 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -138.34 80.61 1.8 Allowed 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 -158.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.7 m . . . . . 0 C--O 1.251 1.136 0 C-N-CA 124.966 1.306 . . . . 0.0 110.336 -175.769 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.4 mmm . . . . . 0 N--CA 1.486 1.341 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 76.8 mt -142.16 -179.66 6.37 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 125.793 1.637 . . . . 0.0 108.308 176.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -136.86 154.79 50.4 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 125.343 1.457 . . . . 0.0 108.563 175.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -140.69 169.51 17.5 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.379 0.609 . . . . 0.0 110.805 157.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -132.98 133.46 43.18 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 105.104 -2.184 . . . . 0.0 105.104 170.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.9 mt -131.76 137.34 55.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 106.298 -1.742 . . . . 0.0 106.298 -172.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.4 mm -113.14 139.71 36.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 105.18 -2.156 . . . . 0.0 105.18 174.234 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.0 t -134.87 137.2 51.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 -178.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -132.04 151.17 51.91 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 125.219 1.408 . . . . 0.0 108.788 -174.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.38 -157.37 22.27 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 177.064 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.5 ttp-105 -72.98 87.97 1.36 Allowed 'General case' 0 C--O 1.23 0.067 0 N-CA-C 106.922 -1.511 . . . . 0.0 106.922 167.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.4 m -133.18 -31.42 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 124.051 0.94 . . . . 0.0 111.406 176.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -83.79 -39.11 20.43 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 120.774 -1.204 . . . . 0.0 110.933 -174.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.5 1.1 38.14 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 123.773 0.702 . . . . 0.0 113.46 178.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.5 m -130.82 10.83 2.0 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 C-N-CA 126.018 1.727 . . . . 0.0 110.947 -174.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.85 30.97 72.44 Favored Glycine 0 C--N 1.343 0.917 0 CA-C-O 119.262 -0.744 . . . . 0.0 113.673 169.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -53.58 -31.42 46.69 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 118.545 1.172 . . . . 0.0 112.794 -177.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -55.08 -37.49 66.86 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 119.136 0.88 . . . . 0.0 111.386 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -71.51 -39.6 70.68 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 118.624 0.647 . . . . 0.0 110.823 178.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -59.26 -49.57 77.33 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 118.751 0.705 . . . . 0.0 109.622 175.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.8 t -57.9 -42.85 83.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 C-N-CA 123.354 0.662 . . . . 0.0 109.898 175.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -56.94 -48.97 77.05 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 118.724 0.693 . . . . 0.0 110.849 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 95.7 mtp -71.22 -37.83 72.04 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 122.517 0.327 . . . . 0.0 110.218 -175.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -69.03 -30.32 68.66 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 119.166 -0.445 . . . . 0.0 111.683 177.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.31 -44.73 62.28 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 118.976 0.807 . . . . 0.0 110.12 172.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -63.88 -42.01 97.59 Favored 'General case' 0 C--O 1.23 0.058 0 C-N-CA 123.787 0.835 . . . . 0.0 111.522 -176.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -13.51 62.13 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.363 -0.835 . . . . 0.0 112.766 177.23 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -104.28 1.14 30.08 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.336 1.054 . . . . 0.0 111.771 170.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt 41.79 42.88 2.32 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.446 1.899 . . . . 0.0 112.397 -170.057 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.4 mt -69.42 165.56 20.57 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 166.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.5 141.8 43.49 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 123.405 0.682 . . . . 0.0 109.574 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 144.87 -154.37 25.83 Favored Glycine 0 CA--C 1.533 1.195 0 CA-C-O 119.771 -0.461 . . . . 0.0 112.34 -165.016 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.0 p90 -140.26 165.38 27.55 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 117.935 0.867 . . . . 0.0 112.931 -176.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.3 p -136.96 138.67 45.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 160.057 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -160.53 176.31 11.74 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.853 0.861 . . . . 0.0 111.422 -171.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -69.47 159.93 32.36 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.329 0.652 . . . . 0.0 110.272 165.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 53.7 ttt85 -129.78 140.54 51.03 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 165.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -57.56 -29.76 64.68 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.865 1.266 . . . . 0.0 114.139 -160.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -63.65 -20.85 66.02 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 177.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.88 32.14 1.23 Allowed Glycine 0 CA--C 1.527 0.843 0 C-N-CA 125.369 1.462 . . . . 0.0 112.008 173.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -124.63 173.41 8.53 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 118.592 1.196 . . . . 0.0 109.373 -169.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.4 t -95.82 146.66 6.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 106.006 -1.849 . . . . 0.0 106.006 166.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -127.93 139.7 52.43 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 175.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.0 mt -129.53 142.23 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 N-CA-C 104.682 -2.34 . . . . 0.0 104.682 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.1 tt -143.98 129.46 19.02 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 105.589 -2.004 . . . . 0.0 105.589 177.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.1 143.8 31.3 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 118.318 0.508 . . . . 0.0 109.967 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -99.67 154.05 18.6 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 156.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 173.55 177.77 43.02 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-O 119.823 -0.432 . . . . 0.0 112.732 177.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -72.54 153.75 54.98 Favored 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 122.853 2.369 . . . . 0.0 109.685 167.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -58.83 -42.99 90.57 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.342 0.657 . . . . 0.0 111.781 -170.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -64.24 -42.31 96.58 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 118.629 0.65 . . . . 0.0 111.499 -176.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.24 -43.53 86.31 Favored 'General case' 0 N--CA 1.457 -0.091 0 N-CA-C 110.108 -0.331 . . . . 0.0 110.108 177.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 46.7 mt -61.51 -46.7 88.85 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.001 0.52 . . . . 0.0 110.463 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -63.16 -44.62 94.99 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 119.569 1.077 . . . . 0.0 110.971 178.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.3 m -58.26 -39.46 79.23 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 121.228 0.537 . . . . 0.0 110.548 175.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -69.7 -31.56 69.66 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-O 116.989 -1.482 . . . . 0.0 111.234 178.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 38.2 t -62.02 -47.43 93.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 121.571 1.987 . . . . 0.0 108.669 167.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -59.07 -35.15 72.88 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.763 0.711 . . . . 0.0 110.81 -176.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.79 -56.48 9.03 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.243 0.617 . . . . 0.0 111.763 170.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.7 t -57.69 -46.62 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 C-N-CA 125.048 1.339 . . . . 0.0 111.017 -172.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.4 pptp? -64.59 -18.2 64.67 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -174.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -68.0 -27.78 66.86 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.888 0.767 . . . . 0.0 111.713 172.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.68 -174.17 39.75 Favored Glycine 0 CA--C 1.534 1.256 0 N-CA-C 109.41 -1.476 . . . . 0.0 109.41 -154.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.7 m -63.55 158.4 59.22 Favored Pre-proline 0 CA--C 1.539 0.547 0 O-C-N 121.164 -1.198 . . . . 0.0 108.011 158.327 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_exo -46.83 -33.57 14.35 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.267 2.645 . . . . 0.0 114.202 165.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -79.28 -17.82 53.92 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.166 0.987 . . . . 0.0 113.271 178.126 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.3 m -73.95 171.25 13.8 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.881 0.872 . . . . 0.0 112.84 -173.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 54.1 tttp -137.6 96.91 3.33 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 105.24 -2.133 . . . . 0.0 105.24 161.103 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 66.8 t -64.63 134.04 29.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 168.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.8 p -117.19 -19.62 9.58 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.008 0.923 . . . . 0.0 110.813 177.188 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -155.49 151.0 27.19 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 124.631 1.172 . . . . 0.0 108.742 169.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 12.7 tt -142.88 142.16 26.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 125.502 1.521 . . . . 0.0 107.174 174.076 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 66.7 m -136.71 150.81 48.64 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 125.73 1.612 . . . . 0.0 108.386 -178.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.2 t -140.65 145.54 25.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 124.127 0.971 . . . . 0.0 108.883 -169.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.2 m -131.09 137.12 48.96 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 164.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -119.91 144.01 47.66 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 54.4 m -147.3 157.33 43.55 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.946 0.898 . . . . 0.0 110.344 -163.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -122.69 53.0 1.29 Allowed 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.289 1.436 . . . . 0.0 107.185 176.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.3 m -139.97 130.42 25.48 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 105.182 -2.155 . . . . 0.0 105.182 -178.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -87.44 168.23 13.29 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -174.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -117.4 -14.63 10.36 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.118 1.367 . . . . 0.0 111.243 -171.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 71.42 2.96 51.97 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 124.919 1.247 . . . . 0.0 113.147 173.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -72.3 153.57 41.45 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.024 0.93 . . . . 0.0 108.977 176.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -129.47 13.9 6.03 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.576 1.151 . . . . 0.0 110.576 176.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.56 167.06 30.1 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 126.341 1.856 . . . . 0.0 107.485 177.204 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -102.7 152.03 21.69 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 169.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.5 m -134.38 151.84 51.44 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 123.426 0.69 . . . . 0.0 111.998 -177.181 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 38.4 mt -97.59 146.78 7.23 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 104.873 -2.269 . . . . 0.0 104.873 159.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.2 t -119.36 130.45 73.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 N-CA-C 105.448 -2.056 . . . . 0.0 105.448 160.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -94.35 18.43 11.13 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.079 0.952 . . . . 0.0 112.081 -164.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.251 1.167 0 C-N-CA 125.891 1.676 . . . . 0.0 111.127 178.961 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 mmt . . . . . 0 N--CA 1.486 1.329 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 46.0 mt -135.92 175.27 9.75 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 124.772 1.229 . . . . 0.0 108.189 172.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -136.72 150.47 48.45 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 125.761 1.624 . . . . 0.0 107.851 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -138.65 168.21 20.28 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.483 0.658 . . . . 0.0 110.356 166.524 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -131.04 136.52 48.54 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 105.261 -2.126 . . . . 0.0 105.261 166.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.7 mt -132.06 136.68 56.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.0 mm -113.22 139.24 39.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 105.133 -2.173 . . . . 0.0 105.133 175.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.5 t -135.62 139.84 45.65 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 -174.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -142.39 154.11 44.34 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 125.302 1.441 . . . . 0.0 109.569 -174.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.01 -153.79 21.08 Favored Glycine 0 CA--C 1.522 0.512 0 C-N-CA 125.484 1.516 . . . . 0.0 109.497 -175.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -73.62 79.66 1.5 Allowed 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 163.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.2 m -131.57 7.8 1.79 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 123.453 0.701 . . . . 0.0 111.906 -172.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -132.16 153.19 50.79 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 168.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.82 18.81 79.68 Favored Glycine 0 CA--C 1.537 1.407 0 CA-C-O 119.706 -0.497 . . . . 0.0 112.586 -169.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 m -137.45 19.71 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 125.652 1.581 . . . . 0.0 110.967 -173.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.55 12.11 60.95 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 124.324 0.964 . . . . 0.0 114.196 176.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -61.17 -39.19 89.19 Favored 'General case' 0 C--N 1.339 0.138 0 CA-C-N 118.838 1.319 . . . . 0.0 112.419 -166.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 90.0 mtm-85 -62.04 -33.76 74.97 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.892 1.224 . . . . 0.0 111.855 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -70.21 -39.59 75.07 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 118.95 0.796 . . . . 0.0 110.358 174.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -57.51 -51.28 70.11 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.732 0.696 . . . . 0.0 109.854 175.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.6 t -57.86 -43.16 83.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 123.729 0.811 . . . . 0.0 109.719 176.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 -58.3 -49.56 76.71 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 118.79 0.723 . . . . 0.0 110.996 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.5 mtt -72.38 -36.58 68.74 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 -174.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -68.9 -30.36 68.83 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 118.947 -0.549 . . . . 0.0 111.618 177.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.07 -43.56 64.67 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 119.068 0.849 . . . . 0.0 110.319 171.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -66.31 -43.92 84.9 Favored 'General case' 0 N--CA 1.461 0.092 0 C-N-CA 123.685 0.794 . . . . 0.0 111.654 -175.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.35 -16.12 59.46 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.906 0.776 . . . . 0.0 112.397 176.101 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.9 tpt85 -108.71 5.21 24.58 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.961 1.304 . . . . 0.0 111.122 177.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt 39.37 44.46 1.09 Allowed 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 127.729 2.412 . . . . 0.0 113.224 -174.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.1 mt -72.89 165.82 24.19 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 165.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.23 151.31 50.88 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 124.292 1.037 . . . . 0.0 109.289 175.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 140.69 -154.44 24.27 Favored Glycine 0 CA--C 1.531 1.045 0 CA-C-N 118.092 0.405 . . . . 0.0 112.439 -171.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.8 p90 -138.65 163.89 30.94 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.069 0.947 . . . . 0.0 112.513 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.4 p -130.99 140.27 49.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 N-CA-C 107.481 -1.304 . . . . 0.0 107.481 157.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -154.3 163.7 39.74 Favored 'General case' 0 C--N 1.338 0.101 0 C-N-CA 123.502 0.721 . . . . 0.0 111.965 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -64.54 132.92 51.25 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 162.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -88.13 147.09 25.08 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 168.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -56.25 -31.72 63.82 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -173.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -64.21 -21.9 66.74 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.279 1.032 . . . . 0.0 113.109 176.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.68 0.23 29.05 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 125.797 1.665 . . . . 0.0 112.966 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -81.31 175.65 10.41 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 118.724 1.262 . . . . 0.0 108.745 174.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.3 t -101.6 143.37 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 168.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -123.08 136.01 54.63 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 125.525 1.53 . . . . 0.0 106.883 177.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 23.5 mt -126.88 138.16 55.65 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 N-CA-C 103.92 -2.622 . . . . 0.0 103.92 179.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.7 tt -143.58 117.97 9.66 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 105.286 -2.116 . . . . 0.0 105.286 178.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.06 152.95 41.67 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.049 0.54 . . . . 0.0 110.303 -169.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -140.19 155.08 47.07 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 124.563 1.145 . . . . 0.0 111.36 174.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 159.07 -165.1 34.11 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.544 1.069 . . . . 0.0 111.0 -177.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.48 147.53 68.42 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 123.833 3.022 . . . . 0.0 112.033 174.02 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -62.9 -35.65 80.74 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.877 -0.514 . . . . 0.0 111.245 -178.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -70.67 -38.01 73.71 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.093 -1.004 . . . . 0.0 111.049 177.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.32 -44.29 92.04 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 122.894 0.477 . . . . 0.0 109.945 177.28 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.78 -43.22 99.29 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 118.343 -0.836 . . . . 0.0 110.308 176.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -60.28 -47.47 85.86 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 120.133 1.333 . . . . 0.0 111.534 177.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.8 m -56.62 -38.18 71.73 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 118.442 0.564 . . . . 0.0 110.836 174.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -70.0 -33.77 72.46 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 117.272 -1.347 . . . . 0.0 111.521 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.9 t -63.42 -44.53 98.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-N 121.347 1.885 . . . . 0.0 108.797 170.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -59.43 -35.59 74.31 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.87 0.759 . . . . 0.0 111.091 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.63 -53.47 27.71 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 122.945 0.498 . . . . 0.0 111.274 171.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.7 t -62.25 -42.57 95.81 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 C-N-CA 124.352 1.061 . . . . 0.0 111.08 -171.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -64.57 -19.07 65.43 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.92 0.782 . . . . 0.0 112.591 -175.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -69.4 -27.79 65.59 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.827 0.74 . . . . 0.0 111.737 174.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.27 -172.81 37.27 Favored Glycine 0 CA--C 1.535 1.331 0 N-CA-C 109.389 -1.485 . . . . 0.0 109.389 -154.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 99.4 p -66.81 161.44 61.34 Favored Pre-proline 0 CA--C 1.538 0.516 0 O-C-N 120.953 -1.322 . . . . 0.0 108.378 160.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -47.13 -24.69 3.69 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 123.619 2.879 . . . . 0.0 114.896 163.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -92.55 -18.4 23.18 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.097 0.959 . . . . 0.0 112.223 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.1 m -73.28 171.46 12.99 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.04 0.936 . . . . 0.0 112.043 -178.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -140.39 98.6 3.46 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 105.637 -1.986 . . . . 0.0 105.637 158.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.0 t -63.34 135.38 27.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 168.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.3 p -121.99 -16.38 7.57 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.636 0.774 . . . . 0.0 110.812 173.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -154.08 147.8 25.32 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.252 1.021 . . . . 0.0 109.253 172.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.6 tt -148.41 144.49 18.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 125.46 1.504 . . . . 0.0 107.854 -178.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.2 m -140.77 153.46 45.86 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 125.661 1.584 . . . . 0.0 108.736 -175.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.9 t -138.62 146.48 26.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 123.954 0.901 . . . . 0.0 109.535 -168.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -134.53 146.56 49.81 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 127.406 2.282 . . . . 0.0 105.725 170.429 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -124.73 154.59 40.63 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 124.33 1.052 . . . . 0.0 109.508 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.2 m -160.77 170.43 20.74 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.577 1.151 . . . . 0.0 110.256 -175.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -140.83 51.46 1.63 Allowed 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 125.296 1.438 . . . . 0.0 107.266 174.762 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.0 m -136.68 63.72 1.57 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 -155.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -55.95 136.42 51.84 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.774 -154.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.91 -22.67 15.67 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.328 1.451 . . . . 0.0 111.633 -175.002 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.29 17.99 72.62 Favored Glycine 0 CA--C 1.529 0.948 0 CA-C-O 118.112 -1.382 . . . . 0.0 115.487 151.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -61.15 150.45 34.2 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.997 1.899 . . . . 0.0 109.933 169.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 15.3 p-80 -82.33 4.58 23.27 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.616 1.166 . . . . 0.0 112.187 174.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.5 ptt-85 -158.71 171.16 20.61 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 125.432 1.493 . . . . 0.0 109.079 -167.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -89.47 155.57 19.22 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 154.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.0 m -135.14 150.37 50.17 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.638 0.775 . . . . 0.0 111.636 -176.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 28.3 mt -96.78 136.57 27.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 N-CA-C 104.142 -2.54 . . . . 0.0 104.142 157.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 47.9 t -132.32 148.21 31.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 178.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -149.5 6.08 0.64 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.355 1.062 . . . . 0.0 112.106 -176.282 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.6 m . . . . . 0 C--O 1.249 1.073 0 C-N-CA 125.504 1.522 . . . . 0.0 110.951 -179.613 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.7 mtt . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.902 0.382 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.7 mt -138.11 -179.72 5.95 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 126.053 1.741 . . . . 0.0 108.001 176.664 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -149.22 156.42 42.12 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -175.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -146.86 169.01 20.0 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.431 0.634 . . . . 0.0 111.109 167.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -122.9 140.1 53.34 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 105.447 -2.057 . . . . 0.0 105.447 161.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.7 mt -132.51 139.99 48.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 105.954 -1.869 . . . . 0.0 105.954 177.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.9 mm -119.19 137.88 51.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 104.889 -2.263 . . . . 0.0 104.889 173.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.1 t -131.64 139.22 51.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 -175.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -134.4 151.66 51.33 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 124.927 1.291 . . . . 0.0 109.029 -171.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.76 -155.17 21.07 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 124.698 1.142 . . . . 0.0 110.514 -179.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -73.8 84.93 1.68 Allowed 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 106.345 -1.724 . . . . 0.0 106.345 165.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.7 m -137.79 -17.17 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -173.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -80.9 -30.91 35.37 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 120.45 1.477 . . . . 0.0 113.558 -170.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -131.71 37.18 2.1 Favored Glycine 0 CA--C 1.525 0.713 0 C-N-CA 124.032 0.825 . . . . 0.0 111.963 -164.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.6 m -136.01 30.89 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 125.572 1.549 . . . . 0.0 110.158 -170.1 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.8 -8.83 40.72 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 121.375 -0.828 . . . . 0.0 113.599 177.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -61.5 -37.2 82.83 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 119.077 1.439 . . . . 0.0 113.236 -166.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.2 mtm105 -57.87 -38.59 76.01 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.701 1.137 . . . . 0.0 110.991 177.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -76.89 -36.38 56.74 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.489 0.716 . . . . 0.0 110.204 177.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -55.21 -51.75 65.57 Favored 'General case' 0 C--N 1.341 0.196 0 CA-C-N 118.78 0.718 . . . . 0.0 109.77 173.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.7 t -60.73 -40.35 84.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 C-N-CA 123.983 0.913 . . . . 0.0 110.077 177.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.8 tp60 -56.34 -49.55 74.04 Favored 'General case' 0 C--N 1.341 0.198 0 CA-C-N 119.045 0.839 . . . . 0.0 110.627 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 76.2 mtm -72.68 -35.05 67.59 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 122.595 0.358 . . . . 0.0 110.564 -176.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -71.22 -25.07 62.33 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 118.593 -0.718 . . . . 0.0 112.482 178.104 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.33 -47.66 26.7 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 119.434 1.015 . . . . 0.0 109.503 168.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -59.7 -38.13 80.76 Favored 'General case' 0 CA--C 1.527 0.094 0 C-N-CA 123.603 0.761 . . . . 0.0 111.795 -176.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.258 0.0 OUTLIER -70.37 -2.22 12.99 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 178.851 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -121.79 8.48 9.98 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.191 1.396 . . . . 0.0 111.168 167.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 46.13 36.31 3.08 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.96 1.704 . . . . 0.0 112.375 -171.161 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.6 mt -69.63 162.96 26.59 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 171.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -143.22 145.8 33.1 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.272 0.629 . . . . 0.0 110.367 -170.098 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 138.19 -149.38 20.46 Favored Glycine 0 CA--C 1.535 1.322 0 N-CA-C 111.581 -0.607 . . . . 0.0 111.581 -163.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 13.6 p90 -141.37 167.29 22.53 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 118.159 0.979 . . . . 0.0 113.138 178.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.4 p -132.75 143.5 39.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 160.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.0 pttt -152.91 156.91 39.82 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 123.35 0.66 . . . . 0.0 110.415 -178.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -71.19 160.35 33.01 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 166.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 56.2 mtt180 -120.2 133.14 55.56 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 106.908 -1.516 . . . . 0.0 106.908 165.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -60.51 -25.06 65.8 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.174 0.99 . . . . 0.0 112.467 -175.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -62.03 -18.3 60.11 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.197 0.999 . . . . 0.0 112.761 174.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.72 15.25 4.94 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 124.974 1.273 . . . . 0.0 113.262 173.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 -116.81 -177.47 3.2 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 118.77 1.285 . . . . 0.0 109.49 -170.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.9 t -123.94 145.3 31.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 105.721 -1.955 . . . . 0.0 105.721 166.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -118.64 138.74 52.39 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 125.756 1.623 . . . . 0.0 106.775 176.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.9 mt -131.01 137.23 56.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 N-CA-C 104.35 -2.463 . . . . 0.0 104.35 177.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.9 tt -148.42 122.16 9.27 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 106.063 -1.828 . . . . 0.0 106.063 -176.138 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -153.35 163.28 40.2 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 118.532 0.605 . . . . 0.0 112.433 -173.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -127.36 145.64 50.74 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 127.887 2.475 . . . . 0.0 107.114 178.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 170.06 -174.75 44.2 Favored Glycine 0 CA--C 1.527 0.835 0 CA-C-O 119.849 -0.417 . . . . 0.0 112.872 174.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -55.16 141.42 80.17 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 123.582 2.855 . . . . 0.0 110.81 168.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -64.27 -31.9 73.28 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -175.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -71.43 -41.41 69.54 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 121.289 -0.882 . . . . 0.0 110.923 177.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.01 -43.16 96.46 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 122.88 0.472 . . . . 0.0 109.727 176.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.1 mt -61.52 -47.84 83.75 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-O 118.689 -0.672 . . . . 0.0 110.476 176.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -59.64 -42.23 92.27 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 120.008 1.277 . . . . 0.0 111.092 178.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.0 m -62.04 -37.32 84.5 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 121.018 0.437 . . . . 0.0 110.88 176.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -66.55 -35.43 80.2 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 117.396 -1.288 . . . . 0.0 110.827 174.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.9 t -61.38 -45.17 99.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-N 121.252 1.842 . . . . 0.0 109.735 170.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -59.02 -38.06 78.37 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.67 0.668 . . . . 0.0 110.502 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.68 -50.48 62.76 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.116 0.417 . . . . 0.0 112.032 171.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.3 t -62.22 -43.39 97.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 124.899 1.28 . . . . 0.0 110.996 -171.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -63.33 -18.25 63.43 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 119.014 0.825 . . . . 0.0 113.096 -176.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -66.08 -29.14 69.42 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 118.921 0.782 . . . . 0.0 111.842 173.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.01 -171.88 38.18 Favored Glycine 0 CA--C 1.534 1.227 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 -155.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 93.5 p -69.59 161.73 72.12 Favored Pre-proline 0 CA--C 1.539 0.529 0 O-C-N 120.936 -1.332 . . . . 0.0 108.167 160.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -47.66 -21.29 2.24 Favored 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 123.704 2.936 . . . . 0.0 115.095 162.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -98.13 -14.25 20.52 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.486 1.114 . . . . 0.0 112.107 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.6 m -73.46 169.95 16.13 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.902 0.858 . . . . 0.0 112.024 -178.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.8 ttmt -136.97 95.2 3.07 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 105.061 -2.2 . . . . 0.0 105.061 157.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.4 t -62.1 134.92 27.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 167.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 61.4 p -117.03 -21.17 9.02 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.824 0.85 . . . . 0.0 110.515 175.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -156.34 156.03 33.23 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.304 1.042 . . . . 0.0 109.236 171.147 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.6 tt -147.77 144.74 19.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 125.665 1.586 . . . . 0.0 107.623 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.0 m -138.18 147.43 43.82 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 125.841 1.656 . . . . 0.0 108.032 -174.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.7 t -135.62 145.33 31.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -173.189 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.7 m -131.46 114.16 14.59 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 104.523 -2.399 . . . . 0.0 104.523 170.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.64 146.56 46.5 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 167.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.1 m -145.48 160.47 41.55 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.801 0.841 . . . . 0.0 109.7 -171.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -146.91 29.13 1.0 Allowed 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.14 0.495 . . . . 0.0 110.278 165.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.4 m -83.39 62.65 6.86 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.106 1.762 . . . . 0.0 106.829 174.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.8 mt -54.98 148.85 12.72 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 124.543 1.137 . . . . 0.0 111.791 -162.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -121.47 -13.01 8.48 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 125.708 1.603 . . . . 0.0 111.355 -167.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 61.19 17.51 52.52 Favored Glycine 0 CA--C 1.53 1.02 0 C-N-CA 124.643 1.116 . . . . 0.0 113.538 169.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.61 149.85 48.11 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 117.663 0.731 . . . . 0.0 109.468 -178.083 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -127.21 26.47 6.04 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.542 1.537 . . . . 0.0 109.165 175.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -154.13 152.27 30.22 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 127.23 2.212 . . . . 0.0 107.546 -176.479 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -110.91 150.79 28.7 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 107.028 -1.471 . . . . 0.0 107.028 167.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.7 m -135.9 157.36 47.04 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -177.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 22.9 mt -103.57 137.56 31.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 N-CA-C 104.376 -2.453 . . . . 0.0 104.376 161.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 20.4 t -127.06 151.03 33.44 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 176.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -125.68 70.48 1.2 Allowed 'General case' 0 C--O 1.235 0.304 0 C-N-CA 123.876 0.871 . . . . 0.0 108.717 -162.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.249 1.071 0 C-N-CA 125.542 1.537 . . . . 0.0 110.538 174.424 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mmt . . . . . 0 N--CA 1.484 1.229 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 mt -147.84 -179.53 6.96 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 125.094 1.358 . . . . 0.0 108.88 176.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -147.3 150.61 35.13 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 126.503 1.921 . . . . 0.0 106.182 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -147.85 168.23 22.74 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 123.204 0.602 . . . . 0.0 111.118 172.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -128.71 140.4 51.76 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 106.126 -1.805 . . . . 0.0 106.126 163.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.9 mt -134.02 145.3 33.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 106.25 -1.759 . . . . 0.0 106.25 -173.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.7 mm -126.32 140.12 49.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 105.074 -2.195 . . . . 0.0 105.074 176.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.8 t -136.23 145.75 30.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 -170.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -141.72 150.91 42.43 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 125.382 1.473 . . . . 0.0 109.232 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 139.46 -158.88 25.63 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.108 -1.197 . . . . 0.0 110.108 -177.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -78.26 87.63 4.32 Favored 'General case' 0 C--O 1.231 0.118 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 163.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.3 m -128.99 17.74 2.65 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 C-N-CA 124.69 1.196 . . . . 0.0 110.41 -176.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -138.11 158.07 45.05 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 126.08 1.752 . . . . 0.0 107.403 169.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 63.69 27.52 71.17 Favored Glycine 0 CA--C 1.533 1.175 0 CA-C-O 119.199 -0.778 . . . . 0.0 112.065 -173.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.2 m -142.33 6.61 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 C-N-CA 126.057 1.743 . . . . 0.0 111.105 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.88 15.89 78.21 Favored Glycine 0 CA--C 1.532 1.118 0 O-C-N 121.462 -0.774 . . . . 0.0 113.858 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -59.31 -37.82 78.69 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 118.821 1.311 . . . . 0.0 112.891 -169.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 89.2 mtm-85 -63.69 -31.96 73.3 Favored 'General case' 0 N--CA 1.466 0.362 0 O-C-N 120.921 -1.112 . . . . 0.0 111.077 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -72.36 -38.16 68.62 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.911 0.778 . . . . 0.0 110.571 173.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -56.03 -51.28 68.35 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 119.184 0.902 . . . . 0.0 109.66 174.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.6 t -59.72 -43.37 91.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 124.153 0.981 . . . . 0.0 110.157 177.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -56.34 -48.94 75.76 Favored 'General case' 0 C--N 1.34 0.171 0 CA-C-N 118.956 0.798 . . . . 0.0 110.467 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.1 mtt -72.41 -34.23 67.72 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.65 0.38 . . . . 0.0 110.31 -176.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -70.82 -24.52 62.57 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 118.549 -0.738 . . . . 0.0 112.494 176.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.41 -45.45 31.55 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 119.606 1.093 . . . . 0.0 110.018 168.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -61.76 -37.0 82.68 Favored 'General case' 0 N--CA 1.461 0.122 0 C-N-CA 123.811 0.844 . . . . 0.0 111.59 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.26 0.0 OUTLIER -69.37 -3.05 12.57 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 178.008 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -121.76 6.49 9.93 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.415 1.486 . . . . 0.0 111.308 168.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp 44.93 39.66 3.82 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.966 1.706 . . . . 0.0 112.088 -171.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 98.5 mt -68.25 165.13 19.09 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 170.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.91 149.1 52.69 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 123.805 0.842 . . . . 0.0 109.469 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 139.36 -153.36 22.91 Favored Glycine 0 CA--C 1.531 1.067 0 N-CA-C 111.835 -0.506 . . . . 0.0 111.835 -170.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 1.9 p90 -141.09 166.2 25.44 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.984 0.897 . . . . 0.0 112.906 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.5 p -127.4 143.73 39.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 159.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 55.0 pttt -149.18 150.87 33.36 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 122.707 0.403 . . . . 0.0 111.314 176.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 50.2 t30 . . . . . 0 CA--C 1.534 0.338 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 165.366 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.282 0 CA-C-O 121.437 0.637 . . . . 0.0 110.634 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.3 t -125.14 154.38 33.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 169.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -130.67 143.08 50.5 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.006 1.322 . . . . 0.0 108.187 -177.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -124.03 148.06 28.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 171.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.6 tt -145.97 126.27 13.95 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 105.198 -2.149 . . . . 0.0 105.198 171.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -143.18 161.32 38.55 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 118.879 0.763 . . . . 0.0 111.061 -173.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -140.43 144.01 35.91 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 127.671 2.389 . . . . 0.0 107.058 174.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 161.18 -168.7 36.54 Favored Glycine 0 CA--C 1.528 0.865 0 CA-C-O 119.555 -0.58 . . . . 0.0 112.224 174.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -54.71 133.39 56.96 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 123.547 2.832 . . . . 0.0 110.408 172.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 pm0 -65.5 -27.43 68.47 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -173.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -69.87 -42.38 73.55 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 119.265 0.939 . . . . 0.0 111.047 172.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.71 -39.81 91.59 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 122.83 0.452 . . . . 0.0 110.091 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.4 mt -62.21 -48.01 81.88 Favored 'General case' 0 C--O 1.222 -0.371 0 C-N-CA 123.483 0.713 . . . . 0.0 110.439 175.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -59.39 -42.46 91.76 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 119.757 1.162 . . . . 0.0 110.656 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.8 m -61.34 -36.24 79.63 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 122.788 0.435 . . . . 0.0 111.007 175.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -69.52 -33.56 73.0 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 117.493 -1.241 . . . . 0.0 111.264 175.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.2 t -61.96 -42.62 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 121.17 1.805 . . . . 0.0 109.087 169.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -60.66 -38.27 84.32 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.125 0.875 . . . . 0.0 110.689 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.03 -50.52 65.9 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.286 0.494 . . . . 0.0 111.675 172.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.2 t -61.81 -46.86 95.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 C-N-CA 123.948 0.899 . . . . 0.0 110.156 -175.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -67.17 -21.16 65.81 Favored 'General case' 0 CA--C 1.53 0.212 0 CA-C-N 118.794 0.725 . . . . 0.0 112.297 -173.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -67.47 -29.11 68.48 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.698 0.681 . . . . 0.0 111.18 172.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.59 -178.67 35.07 Favored Glycine 0 CA--C 1.531 1.076 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 -156.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.9 157.67 74.33 Favored Pre-proline 0 CA--C 1.539 0.553 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 156.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 99.1 Cg_exo -46.66 -33.67 13.94 Favored 'Trans proline' 0 CA--C 1.543 0.951 0 C-N-CA 123.201 2.601 . . . . 0.0 113.992 164.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -74.15 -29.47 61.81 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.24 1.016 . . . . 0.0 112.826 176.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.5 m -78.4 176.46 9.33 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.734 1.614 . . . . 0.0 111.106 -176.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.5 pttt -144.12 114.55 7.55 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 154.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 99.9 t -69.93 136.52 25.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 164.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.4 p -119.13 -18.61 8.66 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.849 0.86 . . . . 0.0 110.741 175.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -155.04 151.89 28.95 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 124.347 1.059 . . . . 0.0 109.115 170.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.4 tt -150.4 147.88 15.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 125.289 1.436 . . . . 0.0 108.111 -178.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 57.3 m -138.75 144.89 39.66 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 126.098 1.759 . . . . 0.0 107.83 -176.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.3 t -136.63 144.72 31.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 C-N-CA 124.367 1.067 . . . . 0.0 108.416 -173.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.2 m -137.29 116.33 12.45 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 105.364 -2.087 . . . . 0.0 105.364 169.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -70.19 156.05 39.77 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 166.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.1 m -141.81 156.55 45.55 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 125.263 1.425 . . . . 0.0 108.062 -178.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -140.26 40.01 1.92 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.242 1.017 . . . . 0.0 108.433 -176.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.5 m -138.23 65.49 1.47 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 127.179 2.192 . . . . 0.0 106.199 -171.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 66.7 mt -49.12 148.57 2.36 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 127.048 2.139 . . . . 0.0 114.725 -155.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -72.96 -34.73 66.68 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.951 1.3 . . . . 0.0 109.995 171.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.43 18.24 49.97 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 124.238 0.923 . . . . 0.0 113.189 -174.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -72.92 166.52 22.87 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.323 1.049 . . . . 0.0 110.444 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 34.7 p80 -127.68 3.76 6.11 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.48 1.112 . . . . 0.0 112.423 -175.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -148.09 165.27 31.32 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 124.796 1.239 . . . . 0.0 108.966 176.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -97.57 153.2 18.33 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 166.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.0 m -141.14 159.02 43.11 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 118.543 0.61 . . . . 0.0 112.02 -176.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 28.1 mt -103.38 130.76 53.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 N-CA-C 104.463 -2.421 . . . . 0.0 104.463 166.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 80.0 t . . . . . 0 CA--C 1.538 0.49 0 C-N-CA 125.315 1.446 . . . . 0.0 107.567 -169.932 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.7 mmt . . . . . 0 N--CA 1.486 1.346 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 48.5 tp -139.17 170.9 15.12 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.812 1.645 . . . . 0.0 108.113 -177.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -148.34 148.92 30.93 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 126.542 1.937 . . . . 0.0 107.05 -174.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -145.91 166.64 25.39 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 123.057 0.543 . . . . 0.0 111.016 166.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.9 ttm-85 -120.2 140.1 51.66 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 163.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 52.4 mt -133.41 139.51 48.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 -179.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.8 mm -115.44 142.77 27.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 N-CA-C 105.358 -2.09 . . . . 0.0 105.358 172.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.7 t -138.03 138.64 43.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 107.009 -1.478 . . . . 0.0 107.009 -175.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -140.73 154.07 46.17 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 124.804 1.242 . . . . 0.0 109.457 -176.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.82 -158.41 23.81 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 109.217 -1.553 . . . . 0.0 109.217 -172.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -75.09 79.79 2.25 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 163.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.9 m -130.15 2.58 2.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 124.392 1.077 . . . . 0.0 111.363 -177.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -133.85 162.82 30.97 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 165.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 71.58 12.08 73.31 Favored Glycine 0 CA--C 1.538 1.515 0 N-CA-C 111.703 -0.559 . . . . 0.0 111.703 -161.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.4 m -145.67 160.13 12.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 128.217 2.607 . . . . 0.0 106.154 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.02 20.91 2.29 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 124.041 0.829 . . . . 0.0 114.67 -170.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -59.27 -34.02 71.75 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.856 1.328 . . . . 0.0 112.487 -172.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -47.6 64.69 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.165 0.586 . . . . 0.0 110.041 175.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -71.81 -39.85 69.55 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 118.657 -0.687 . . . . 0.0 110.216 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -56.02 -50.98 69.38 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-N 118.856 0.753 . . . . 0.0 110.432 178.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.8 t -58.07 -47.76 86.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 123.647 0.779 . . . . 0.0 109.62 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -58.72 -46.92 86.27 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.805 0.729 . . . . 0.0 111.08 178.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 66.4 mtt -70.9 -33.46 70.58 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.804 -0.56 . . . . 0.0 110.793 -173.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -68.26 -37.2 80.49 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.447 0.567 . . . . 0.0 110.799 173.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.01 -42.53 94.35 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.899 0.772 . . . . 0.0 110.523 173.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -66.22 -42.07 89.22 Favored 'General case' 0 C--O 1.228 -0.055 0 C-N-CA 123.763 0.825 . . . . 0.0 111.615 -177.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.06 -25.25 65.26 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 119.931 1.241 . . . . 0.0 111.712 176.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -83.64 -1.63 54.38 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.823 0.738 . . . . 0.0 112.469 168.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt 43.87 41.93 4.17 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 126.951 2.1 . . . . 0.0 112.915 -172.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.1 mt -74.92 168.97 18.89 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 163.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.59 148.8 52.43 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.276 1.03 . . . . 0.0 108.239 173.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 160.58 -156.13 27.39 Favored Glycine 0 CA--C 1.527 0.793 0 CA-C-N 118.431 0.56 . . . . 0.0 114.076 -169.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 1.6 p90 -142.81 166.97 23.2 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 124.149 0.98 . . . . 0.0 111.05 169.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.7 p -135.99 137.94 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 168.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -149.61 159.72 44.09 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 113.129 0.788 . . . . 0.0 113.129 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.6 t30 . . . . . 0 C--O 1.232 0.142 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 155.934 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? . . . . . 0 C--O 1.233 0.211 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 80.8 t -97.94 148.0 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 106.145 -1.798 . . . . 0.0 106.145 164.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -134.64 137.0 43.28 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 125.964 1.706 . . . . 0.0 106.99 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.0 mt -131.33 142.73 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 N-CA-C 104.439 -2.43 . . . . 0.0 104.439 -175.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.7 tt -142.54 122.49 13.6 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 105.149 -2.167 . . . . 0.0 105.149 175.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -143.59 158.03 43.97 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 118.31 0.504 . . . . 0.0 110.343 -174.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -138.27 155.62 48.44 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 126.067 1.747 . . . . 0.0 109.621 173.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 159.3 -167.84 35.11 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 124.427 1.013 . . . . 0.0 110.66 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.32 149.35 63.2 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 122.133 1.888 . . . . 0.0 110.209 174.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -58.02 -42.91 86.31 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.862 0.865 . . . . 0.0 111.689 -170.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -68.59 -37.91 80.23 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 118.73 0.696 . . . . 0.0 111.907 -176.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.91 -40.9 91.92 Favored 'General case' 0 C--N 1.338 0.078 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 175.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.0 mt -62.14 -42.45 99.26 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 118.378 -0.82 . . . . 0.0 110.581 175.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -62.39 -46.21 89.64 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.896 1.225 . . . . 0.0 110.031 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.1 m -57.58 -37.83 73.85 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.626 0.77 . . . . 0.0 110.606 176.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -70.35 -34.35 72.52 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 117.532 -1.223 . . . . 0.0 111.593 176.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.2 t -63.25 -41.32 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-N 121.381 1.901 . . . . 0.0 109.566 170.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -59.42 -39.74 84.47 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.253 0.933 . . . . 0.0 110.308 178.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.84 -49.43 70.63 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 122.589 0.356 . . . . 0.0 111.288 174.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 48.5 t -63.55 -46.11 95.87 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 123.513 0.725 . . . . 0.0 110.34 -175.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -67.6 -17.19 64.54 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.897 0.771 . . . . 0.0 112.684 -176.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -68.66 -27.4 65.95 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.025 0.829 . . . . 0.0 111.223 171.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.34 175.36 12.58 Favored Glycine 0 CA--C 1.532 1.121 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 -155.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 83.0 p -70.63 160.68 80.88 Favored Pre-proline 0 C--O 1.237 0.437 0 C-N-CA 118.419 -1.313 . . . . 0.0 108.175 161.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -49.8 -3.27 0.05 OUTLIER 'Trans proline' 0 CA--C 1.546 1.111 0 C-N-CA 124.478 3.452 . . . . 0.0 116.058 160.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -125.85 9.88 7.62 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.965 1.706 . . . . 0.0 111.34 -177.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.1 m -130.36 171.42 12.96 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.914 1.285 . . . . 0.0 110.178 -177.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -142.09 90.1 2.23 Favored 'General case' 0 CA--C 1.523 -0.084 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 174.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.2 p -59.69 136.13 23.6 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 161.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.4 p -121.91 -14.96 7.96 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.519 1.127 . . . . 0.0 110.775 175.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -152.93 145.24 23.98 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.414 1.086 . . . . 0.0 109.454 174.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 11.2 tt -144.37 143.71 23.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 125.669 1.588 . . . . 0.0 107.603 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 64.5 m -140.75 130.99 24.96 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 125.133 1.373 . . . . 0.0 107.843 -176.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.2 p -128.67 145.67 35.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 C-N-CA 124.886 1.274 . . . . 0.0 110.852 -173.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.0 m -138.02 115.94 11.58 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 105.703 -1.962 . . . . 0.0 105.703 174.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -67.13 162.82 21.53 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.791 0.805 . . . . 0.0 109.102 167.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.7 m -152.88 162.77 40.88 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 124.722 1.209 . . . . 0.0 108.36 174.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -139.78 35.07 1.98 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.147 0.979 . . . . 0.0 108.927 -171.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.3 m -136.62 62.4 1.61 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.772 2.029 . . . . 0.0 106.356 -172.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.4 mp -54.78 154.65 4.9 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.989 1.716 . . . . 0.0 113.659 -160.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -69.92 -39.99 75.82 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.071 1.349 . . . . 0.0 109.657 176.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.45 37.3 94.58 Favored Glycine 0 CA--C 1.534 1.227 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 -166.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.98 167.08 22.44 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.021 1.328 . . . . 0.0 109.341 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -141.35 23.43 2.16 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.846 0.858 . . . . 0.0 110.618 -178.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -159.93 172.32 17.79 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 125.886 1.674 . . . . 0.0 107.995 -173.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -122.97 133.37 54.38 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 164.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.0 m -122.19 160.46 25.12 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.541 0.736 . . . . 0.0 111.343 -167.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 10.9 mt -118.47 135.82 57.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 106.824 -1.547 . . . . 0.0 106.824 175.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.688 0 C-N-CA 124.016 0.926 . . . . 0.0 109.748 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 mmt . . . . . 0 N--CA 1.486 1.349 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.4 mt -134.76 177.92 7.41 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 125.428 1.491 . . . . 0.0 107.956 173.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -142.94 151.53 41.05 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.498 1.519 . . . . 0.0 108.098 177.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -143.07 167.23 22.57 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.103 0.477 . . . . 0.0 110.821 163.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -129.05 134.24 48.03 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 105.375 -2.083 . . . . 0.0 105.375 169.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.9 mt -131.79 137.02 55.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 106.055 -1.832 . . . . 0.0 106.055 -172.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.2 mm -112.12 141.34 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 105.203 -2.147 . . . . 0.0 105.203 174.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.6 t -134.96 134.68 53.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 106.492 -1.67 . . . . 0.0 106.492 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -132.09 149.64 52.36 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 125.271 1.428 . . . . 0.0 108.438 -173.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 137.03 -159.54 24.66 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 110.441 -1.063 . . . . 0.0 110.441 -178.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.6 ttt-85 -75.86 75.75 2.79 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 107.085 -1.45 . . . . 0.0 107.085 168.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.5 m -130.05 5.43 2.31 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 125.224 1.41 . . . . 0.0 110.776 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -136.22 150.9 49.18 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 106.241 -1.763 . . . . 0.0 106.241 174.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.99 1.83 63.88 Favored Glycine 0 CA--C 1.539 1.585 0 N-CA-C 111.969 -0.452 . . . . 0.0 111.969 -156.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.8 m -142.82 154.06 17.39 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 C-N-CA 128.123 2.569 . . . . 0.0 106.087 175.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.96 35.3 2.74 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-O 118.99 -0.894 . . . . 0.0 114.767 -161.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -55.94 -35.41 66.62 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 119.203 1.502 . . . . 0.0 112.693 -174.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.2 mtm-85 -56.31 -39.2 72.37 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.349 -0.844 . . . . 0.0 111.329 176.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -71.14 -39.55 71.91 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 118.94 0.791 . . . . 0.0 110.585 178.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -56.76 -52.34 65.38 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.786 0.721 . . . . 0.0 109.596 175.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.1 t -61.28 -40.13 84.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 123.242 0.617 . . . . 0.0 110.159 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -55.88 -50.11 71.53 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-N 118.998 0.817 . . . . 0.0 110.405 178.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 77.1 mtm -71.45 -36.81 71.36 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 119.461 -0.304 . . . . 0.0 110.594 -175.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -67.19 -32.45 73.53 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 118.454 0.57 . . . . 0.0 111.741 177.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.87 -43.21 65.83 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.918 0.781 . . . . 0.0 110.623 173.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -65.32 -44.68 87.04 Favored 'General case' 0 C--O 1.231 0.102 0 C-N-CA 123.769 0.828 . . . . 0.0 111.423 -175.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -18.59 64.18 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 118.571 0.623 . . . . 0.0 112.307 175.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 tpt85 -103.02 7.44 39.04 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.42 1.088 . . . . 0.0 111.383 176.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.6 mttm 47.77 34.37 3.78 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.906 2.082 . . . . 0.0 112.985 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.1 mt -75.3 165.75 24.68 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 172.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.64 146.52 50.98 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.046 0.938 . . . . 0.0 109.006 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 141.55 -154.11 24.5 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-N 118.177 0.444 . . . . 0.0 112.103 -167.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 3.1 p90 -137.51 162.47 33.63 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 117.83 0.815 . . . . 0.0 112.741 -178.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.6 p -132.65 142.72 41.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 156.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -161.7 171.63 17.6 Favored 'General case' 0 C--N 1.335 -0.056 0 C-N-CA 123.198 0.599 . . . . 0.0 112.276 -172.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 . . . . . 0 CA--C 1.538 0.498 0 C-N-CA 123.46 0.704 . . . . 0.0 109.748 162.152 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.8 mmt180 . . . . . 0 N--CA 1.47 0.55 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.3 t -102.97 148.51 8.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 105.521 -2.029 . . . . 0.0 105.521 164.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -131.58 138.98 49.07 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 177.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.8 mt -128.65 143.38 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 N-CA-C 104.462 -2.422 . . . . 0.0 104.462 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.4 tt -144.63 127.7 16.57 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 105.164 -2.161 . . . . 0.0 105.164 175.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -141.91 147.24 36.76 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 118.373 0.533 . . . . 0.0 110.035 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -116.52 153.56 31.95 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 125.556 1.542 . . . . 0.0 108.599 164.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 161.1 -171.62 37.18 Favored Glycine 0 CA--C 1.528 0.898 0 CA-C-O 119.677 -0.513 . . . . 0.0 112.768 176.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -57.48 149.14 68.21 Favored 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 123.911 3.074 . . . . 0.0 111.616 171.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -59.48 -45.56 91.32 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.162 0.585 . . . . 0.0 110.923 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -65.08 -40.59 94.84 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 118.387 0.539 . . . . 0.0 111.228 -177.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.58 -46.54 85.4 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 123.042 0.537 . . . . 0.0 110.231 176.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.5 mt -62.01 -45.74 92.27 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.53 0.732 . . . . 0.0 110.662 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -60.7 -45.76 92.97 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.118 0.872 . . . . 0.0 110.485 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.8 m -57.87 -39.17 77.17 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 120.899 0.38 . . . . 0.0 110.508 176.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -70.01 -32.57 70.81 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 117.424 -1.274 . . . . 0.0 111.396 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.5 t -62.51 -44.66 99.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 121.289 1.859 . . . . 0.0 109.545 168.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -59.07 -37.98 78.36 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 119.104 0.866 . . . . 0.0 110.515 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.17 -51.26 59.53 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.034 0.534 . . . . 0.0 111.367 173.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.6 t -63.81 -44.22 98.13 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 C-N-CA 124.069 0.948 . . . . 0.0 110.642 -173.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 44.1 pttt -66.99 -19.04 65.65 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.95 0.796 . . . . 0.0 112.657 -174.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -68.45 -28.32 66.95 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.712 0.687 . . . . 0.0 111.257 172.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.45 172.57 11.5 Favored Glycine 0 CA--C 1.533 1.172 0 N-CA-C 110.245 -1.142 . . . . 0.0 110.245 -158.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 27.3 t -65.2 144.85 99.12 Favored Pre-proline 0 CA--C 1.534 0.345 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 161.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -48.59 -27.44 10.63 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 123.494 2.796 . . . . 0.0 114.138 165.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -89.87 -0.37 57.52 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.277 1.031 . . . . 0.0 112.663 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.9 m -125.77 176.38 6.96 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.233 1.813 . . . . 0.0 109.514 -174.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.9 ttmt -144.69 95.72 2.75 Favored 'General case' 0 N--CA 1.461 0.125 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 175.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.3 p -59.74 137.43 22.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 162.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 54.0 p -120.2 -18.57 7.99 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.388 1.075 . . . . 0.0 110.867 174.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -154.42 150.92 28.39 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 124.227 1.011 . . . . 0.0 109.543 173.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.8 tt -146.31 146.01 19.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 125.776 1.63 . . . . 0.0 108.295 -176.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.3 m -139.74 149.15 43.25 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 125.752 1.621 . . . . 0.0 108.448 -176.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 50.2 t -139.96 145.06 27.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 C-N-CA 124.208 1.003 . . . . 0.0 109.073 -171.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.5 m -137.96 140.82 40.44 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 106.077 -1.823 . . . . 0.0 106.077 166.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -126.57 158.54 35.98 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.074 0.949 . . . . 0.0 110.883 -175.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.1 t -159.55 175.3 13.41 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.814 1.246 . . . . 0.0 110.237 -174.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -124.97 1.29 8.0 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.784 1.633 . . . . 0.0 110.006 169.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.1 m -80.6 134.96 35.98 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 105.651 -1.981 . . . . 0.0 105.651 163.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.5 mt -118.57 170.04 9.29 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 -165.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -95.25 -5.2 44.26 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.671 0.788 . . . . 0.0 111.515 -175.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 61.91 20.45 59.98 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 124.685 1.136 . . . . 0.0 112.188 -174.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -77.03 158.45 30.55 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.21 1.005 . . . . 0.0 110.104 -177.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 35.5 p80 -131.69 2.61 4.1 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.657 1.183 . . . . 0.0 112.061 -178.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -148.21 167.06 26.08 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 125.806 1.642 . . . . 0.0 108.017 174.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -95.56 150.69 20.06 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 166.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.5 m -140.83 158.81 43.42 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 118.33 0.514 . . . . 0.0 111.688 -175.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 36.4 mt -103.03 133.76 45.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 N-CA-C 105.025 -2.213 . . . . 0.0 105.025 167.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.9 t . . . . . 0 CA--C 1.543 0.711 0 N-CA-C 106.535 -1.654 . . . . 0.0 106.535 -179.709 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 81.0 mmm . . . . . 0 N--CA 1.481 1.105 0 CA-C-O 121.141 0.496 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 51.1 tp -145.67 169.85 17.65 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 126.322 1.849 . . . . 0.0 107.235 -178.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -146.4 148.65 32.54 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.689 1.196 . . . . 0.0 107.81 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -141.56 168.17 20.41 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.399 0.619 . . . . 0.0 111.142 171.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 -129.04 137.0 51.05 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 105.039 -2.208 . . . . 0.0 105.039 164.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.7 mt -130.98 140.94 47.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 106.271 -1.751 . . . . 0.0 106.271 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 23.6 mm -118.28 140.51 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 105.092 -2.188 . . . . 0.0 105.092 176.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.1 t -134.23 141.31 44.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 -174.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.415 ' CG ' ' HE ' ' A' ' 41' ' ' ARG . 21.4 t0 -136.38 150.72 48.94 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 126.283 1.833 . . . . 0.0 108.657 -175.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.68 -159.64 23.52 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 124.849 1.214 . . . . 0.0 110.153 -177.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 59.2 ttp85 -78.58 79.23 5.01 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 168.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 36.0 m -130.05 6.46 2.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 C-N-CA 125.014 1.325 . . . . 0.0 111.346 -174.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -131.66 162.55 30.14 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 169.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.86 -54.72 4.19 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 -162.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.3 m -63.63 147.27 12.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 159.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.76 37.68 2.66 Favored Glycine 0 CA--C 1.528 0.861 0 C-N-CA 124.548 1.07 . . . . 0.0 113.659 -170.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -56.02 -33.95 65.4 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 118.577 1.188 . . . . 0.0 112.92 -173.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.3 mtm-85 -57.94 -38.66 76.37 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 120.966 -1.084 . . . . 0.0 111.277 175.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -71.39 -38.57 71.49 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.665 0.666 . . . . 0.0 110.511 176.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -57.31 -51.7 68.33 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.895 0.77 . . . . 0.0 109.676 175.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.6 t -59.83 -40.75 83.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 C-N-CA 123.741 0.816 . . . . 0.0 110.076 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.77 -49.13 76.2 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 119.239 0.927 . . . . 0.0 110.803 178.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.4 mtt -71.51 -37.67 71.19 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 122.468 0.307 . . . . 0.0 110.248 -175.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -68.25 -30.54 69.6 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 119.152 -0.451 . . . . 0.0 111.691 178.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.98 -44.24 63.83 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 118.734 0.697 . . . . 0.0 110.429 172.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -65.06 -44.95 87.33 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 123.862 0.865 . . . . 0.0 111.323 -174.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.31 -15.73 58.18 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 175.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.0 tpt85 -109.02 9.2 26.44 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.817 1.247 . . . . 0.0 111.176 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.5 mttt 47.92 34.55 4.13 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.829 2.051 . . . . 0.0 113.14 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.6 mt -76.29 168.22 20.44 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 121.835 -0.541 . . . . 0.0 109.755 173.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -139.11 153.05 47.95 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.448 1.099 . . . . 0.0 109.082 176.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 138.55 -150.35 21.04 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -168.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 14.3 p90 -143.45 165.65 26.95 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 118.366 1.083 . . . . 0.0 112.832 176.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.2 p -129.58 144.69 37.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 159.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -152.5 159.6 43.31 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 121.191 0.52 . . . . 0.0 112.375 -175.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 . . . . . 0 C--O 1.235 0.314 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 161.043 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.415 ' HE ' ' CG ' ' A' ' 9' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--O 1.234 0.243 0 CA-C-O 121.384 0.612 . . . . 0.0 109.75 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.9 t -112.28 142.14 25.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 169.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -116.51 139.28 50.65 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 106.484 -1.673 . . . . 0.0 106.484 173.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.2 mt -127.73 140.9 47.88 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 N-CA-C 104.401 -2.444 . . . . 0.0 104.401 176.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.9 tt -145.47 122.6 11.46 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 105.345 -2.094 . . . . 0.0 105.345 178.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -143.99 150.82 38.87 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 118.459 0.572 . . . . 0.0 110.657 -173.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -121.26 152.2 39.15 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 125.65 1.58 . . . . 0.0 108.736 167.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 165.77 -176.52 41.21 Favored Glycine 0 CA--C 1.526 0.752 0 CA-C-O 119.856 -0.413 . . . . 0.0 112.257 176.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -54.94 144.93 65.31 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 123.381 2.721 . . . . 0.0 111.271 167.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -58.28 -38.04 76.21 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.491 0.717 . . . . 0.0 111.504 -178.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -68.37 -44.83 74.31 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 121.548 -0.72 . . . . 0.0 110.706 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.02 -44.82 94.35 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 123.235 0.614 . . . . 0.0 110.413 177.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 55.1 mt -63.62 -40.89 98.06 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 118.432 -0.794 . . . . 0.0 110.828 177.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -61.63 -45.31 94.63 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 120.262 1.392 . . . . 0.0 111.287 177.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.6 m -56.77 -38.18 72.12 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 118.549 0.613 . . . . 0.0 110.862 173.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -69.54 -34.46 74.26 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 117.444 -1.265 . . . . 0.0 111.437 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.0 t -62.73 -44.94 99.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 121.104 1.775 . . . . 0.0 108.87 170.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.02 -35.97 76.22 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.779 0.718 . . . . 0.0 111.154 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.44 -51.11 55.42 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.134 0.574 . . . . 0.0 111.123 173.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.9 t -63.77 -44.5 98.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 124.215 1.006 . . . . 0.0 110.808 -173.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -64.59 -21.26 66.66 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.94 0.791 . . . . 0.0 112.554 -174.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -69.85 -27.19 64.64 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 118.344 0.52 . . . . 0.0 111.824 174.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.74 -174.87 38.76 Favored Glycine 0 CA--C 1.533 1.162 0 N-CA-C 109.415 -1.474 . . . . 0.0 109.415 -155.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.76 156.47 83.11 Favored Pre-proline 0 CA--C 1.54 0.59 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 157.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -47.33 -34.19 18.19 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 123.145 2.563 . . . . 0.0 113.803 167.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -77.21 -25.52 51.78 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.058 0.943 . . . . 0.0 113.179 178.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.1 m -78.38 177.24 8.63 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.195 1.398 . . . . 0.0 111.806 -174.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -141.09 101.2 3.98 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 164.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.0 t -64.54 135.83 27.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 N-CA-C 106.71 -1.589 . . . . 0.0 106.71 163.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 77.2 p -117.89 -21.28 8.44 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.707 0.803 . . . . 0.0 110.73 172.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -155.26 153.99 31.47 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 124.115 0.966 . . . . 0.0 109.379 172.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.0 tt -149.45 144.96 17.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 C-N-CA 125.8 1.64 . . . . 0.0 107.821 -176.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 42.8 m -139.07 151.69 46.95 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.5 1.52 . . . . 0.0 108.455 -176.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.1 t -138.12 146.18 27.43 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 C-N-CA 123.931 0.892 . . . . 0.0 109.1 -168.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -135.06 144.04 47.02 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 127.186 2.195 . . . . 0.0 105.125 172.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -130.76 143.39 50.71 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 119.737 1.153 . . . . 0.0 108.888 -177.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.0 m -151.23 170.05 20.44 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.938 1.295 . . . . 0.0 109.801 -165.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -135.48 32.38 3.07 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.679 1.192 . . . . 0.0 108.333 176.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.3 m -118.8 55.67 0.92 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.772 1.629 . . . . 0.0 107.996 -159.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.1 mp -44.31 139.96 2.44 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 127.465 2.306 . . . . 0.0 112.702 -164.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -73.65 -37.74 65.2 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.806 1.242 . . . . 0.0 109.75 175.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 59.31 37.43 91.89 Favored Glycine 0 CA--C 1.534 1.243 0 N-CA-C 110.621 -0.992 . . . . 0.0 110.621 -164.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -68.61 146.79 52.73 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.119 0.968 . . . . 0.0 109.479 -174.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -70.55 -27.76 64.4 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -174.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -159.53 177.69 10.67 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 126.198 1.799 . . . . 0.0 108.216 -175.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -85.15 140.82 30.64 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 159.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.5 m -132.97 161.75 33.49 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 119.272 0.942 . . . . 0.0 111.679 -172.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.2 mt -105.38 134.37 47.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 104.711 -2.329 . . . . 0.0 104.711 165.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 58.8 t . . . . . 0 CA--C 1.536 0.417 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 -174.17 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 mmt . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 39.6 tp -148.62 166.36 28.55 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 125.626 1.57 . . . . 0.0 108.065 -178.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -134.85 148.54 50.17 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 125.343 1.457 . . . . 0.0 107.942 175.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -138.71 169.94 16.89 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.344 0.592 . . . . 0.0 110.821 167.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -129.89 138.69 51.07 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 105.887 -1.894 . . . . 0.0 105.887 164.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.8 mt -132.98 142.75 41.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 107.1 -1.444 . . . . 0.0 107.1 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.7 mm -114.31 143.71 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 173.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.5 t -136.72 135.63 48.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -125.14 155.14 40.39 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 126.428 1.891 . . . . 0.0 109.11 178.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.2 -157.37 22.85 Favored Glycine 0 CA--C 1.525 0.69 0 C-N-CA 125.111 1.338 . . . . 0.0 111.149 176.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.4 ttt85 -72.08 79.55 0.94 Allowed 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 160.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.2 m -136.0 8.11 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 C-N-CA 123.667 0.787 . . . . 0.0 111.7 -172.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -141.65 166.0 25.94 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 165.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.37 -50.89 4.1 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 -166.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.1 m -59.64 150.25 6.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 153.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.96 34.11 1.69 Allowed Glycine 0 CA--C 1.529 0.963 0 C-N-CA 124.381 0.991 . . . . 0.0 113.201 -175.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -61.88 -33.89 75.02 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.406 1.103 . . . . 0.0 111.881 -172.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 79.9 mtm-85 -59.85 -38.06 81.05 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 120.07 1.304 . . . . 0.0 110.812 177.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -69.56 -39.27 77.49 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.052 0.541 . . . . 0.0 110.492 175.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -57.62 -52.63 64.64 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.582 0.628 . . . . 0.0 109.86 175.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.0 t -58.14 -42.95 84.44 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 124.163 0.985 . . . . 0.0 109.784 177.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -55.83 -50.42 70.59 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 118.558 0.617 . . . . 0.0 110.813 179.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.5 mmt -79.44 -29.35 41.8 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 119.391 -0.338 . . . . 0.0 111.219 -171.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -67.42 -39.91 85.51 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 118.643 0.656 . . . . 0.0 110.46 172.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.92 -42.82 97.28 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 119.105 0.866 . . . . 0.0 110.296 174.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -62.66 -45.77 91.29 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.151 0.58 . . . . 0.0 111.605 -178.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -26.33 64.76 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 119.205 0.911 . . . . 0.0 111.842 177.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -81.77 4.82 20.65 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.408 0.683 . . . . 0.0 112.297 169.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.6 mttt 50.04 32.86 6.15 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 126.635 1.974 . . . . 0.0 112.774 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.5 mt -78.52 165.66 23.48 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 123.804 0.842 . . . . 0.0 109.496 175.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -131.57 152.43 50.79 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.454 1.101 . . . . 0.0 108.765 174.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 137.21 -148.21 19.66 Favored Glycine 0 CA--C 1.529 0.966 0 CA-C-N 118.465 0.575 . . . . 0.0 111.769 -169.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 3.0 p90 -145.4 166.91 24.23 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -178.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 p -132.84 146.47 32.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 C-N-CA 125.326 1.45 . . . . 0.0 107.282 158.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.7 pttt -151.99 162.64 40.76 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 123.571 0.748 . . . . 0.0 111.815 177.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.2 t30 . . . . . 0 CA--C 1.532 0.26 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 157.18 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.235 0 CA-C-O 121.203 0.525 . . . . 0.0 109.868 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 66.6 t -99.41 143.1 13.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 106.138 -1.801 . . . . 0.0 106.138 166.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -122.94 135.39 54.47 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 170.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 24.1 mt -128.93 142.93 42.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 104.685 -2.339 . . . . 0.0 104.685 -174.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.2 tt -146.8 123.85 11.42 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 106.004 -1.851 . . . . 0.0 106.004 177.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.13 147.56 33.88 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 118.592 0.633 . . . . 0.0 111.031 -172.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -128.09 155.52 44.26 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 126.168 1.787 . . . . 0.0 109.556 173.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 154.63 -165.97 32.17 Favored Glycine 0 CA--C 1.53 0.97 0 CA-C-O 119.512 -0.605 . . . . 0.0 111.7 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.58 131.53 43.01 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 123.544 2.83 . . . . 0.0 111.008 172.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -56.89 -28.61 62.1 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.925 0.89 . . . . 0.0 113.4 -177.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -69.97 -34.82 73.87 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 120.902 -1.123 . . . . 0.0 111.813 173.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.44 -36.43 63.39 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.2 mp -59.51 -51.53 69.46 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-O 118.477 -0.773 . . . . 0.0 110.315 171.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -58.06 -45.23 87.42 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 119.903 1.228 . . . . 0.0 110.944 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.6 m -60.01 -37.75 80.61 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.027 0.441 . . . . 0.0 111.219 176.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -69.28 -31.24 69.61 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 117.188 -1.387 . . . . 0.0 111.236 175.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.9 t -62.68 -44.7 99.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-N 121.666 2.03 . . . . 0.0 108.747 169.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -58.35 -39.75 80.36 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.089 0.859 . . . . 0.0 110.364 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.57 -49.11 70.06 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 174.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.7 t -67.87 -47.34 79.7 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 C-N-CA 124.327 1.051 . . . . 0.0 110.558 -172.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -63.22 -26.24 68.7 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.772 0.715 . . . . 0.0 111.444 -174.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -65.19 -28.74 69.6 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.377 0.671 . . . . 0.0 111.667 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.43 -178.31 38.65 Favored Glycine 0 CA--C 1.528 0.888 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 -156.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 54.5 p -68.56 160.9 74.35 Favored Pre-proline 0 CA--C 1.538 0.505 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 160.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_exo -46.98 -19.23 0.74 Allowed 'Trans proline' 0 CA--C 1.543 0.974 0 C-N-CA 123.839 3.026 . . . . 0.0 115.554 161.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -97.98 -16.63 19.59 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.322 1.049 . . . . 0.0 112.228 179.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.7 m -79.36 173.99 12.02 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.159 1.384 . . . . 0.0 111.601 -177.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -140.09 94.99 2.82 Favored 'General case' 0 C--O 1.231 0.087 0 N-CA-C 106.027 -1.842 . . . . 0.0 106.027 158.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.3 t -62.07 137.17 24.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 167.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.6 p -117.14 -22.62 8.27 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.354 0.661 . . . . 0.0 110.89 175.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -159.3 149.89 19.47 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.253 1.021 . . . . 0.0 109.747 175.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 7.9 pt -131.47 159.52 43.0 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 C-N-CA 125.011 1.324 . . . . 0.0 109.025 171.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.9 m -140.73 156.01 46.3 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 125.214 1.405 . . . . 0.0 108.004 173.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 37.2 t -140.8 146.2 24.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-N 118.708 0.685 . . . . 0.0 109.597 -168.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.7 143.37 50.7 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 105.062 -2.199 . . . . 0.0 105.062 166.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -135.22 139.91 44.86 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 119.953 1.252 . . . . 0.0 108.258 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 70.9 m -149.81 137.25 19.9 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.089 0.956 . . . . 0.0 108.904 -173.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.4 ttp180 -86.67 52.87 2.63 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 169.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.5 m -138.91 103.8 4.9 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 -168.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.8 mp -73.78 149.57 41.64 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.569 0.748 . . . . 0.0 110.001 -173.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -87.6 -16.66 33.9 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.151 1.381 . . . . 0.0 111.021 170.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.33 25.86 63.24 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.688 1.137 . . . . 0.0 113.182 179.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -73.67 167.15 21.96 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.121 0.961 . . . . 0.0 109.668 175.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -128.13 12.01 6.56 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.512 1.125 . . . . 0.0 111.2 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -150.62 165.73 32.47 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 125.703 1.601 . . . . 0.0 107.908 176.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -92.38 153.97 18.83 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 154.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.1 m -133.27 149.73 51.94 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.411 0.684 . . . . 0.0 110.633 -171.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 33.2 mt -100.97 132.08 47.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 N-CA-C 103.712 -2.699 . . . . 0.0 103.712 157.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.3 p . . . . . 0 CA--C 1.538 0.482 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 -176.253 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 mmt . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.814 0.34 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 43.9 tp -137.73 172.92 12.24 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.741 1.616 . . . . 0.0 107.641 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -148.36 151.68 35.74 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 125.579 1.552 . . . . 0.0 107.62 -177.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -146.33 168.38 21.25 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 123.237 0.615 . . . . 0.0 110.735 165.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -126.76 137.93 53.3 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 105.46 -2.052 . . . . 0.0 105.46 167.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.2 mt -134.39 142.7 40.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 -172.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.3 mm -120.12 143.03 33.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 N-CA-C 105.51 -2.033 . . . . 0.0 105.51 173.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.6 t -136.12 132.65 50.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 -177.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -119.08 153.79 34.21 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 126.188 1.795 . . . . 0.0 109.004 -176.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.85 -156.73 21.85 Favored Glycine 0 CA--C 1.522 0.529 0 C-N-CA 124.23 0.919 . . . . 0.0 111.61 173.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.8 ttp-105 -73.94 82.6 1.7 Allowed 'General case' 0 N--CA 1.462 0.133 0 N-CA-C 106.126 -1.805 . . . . 0.0 106.126 163.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.4 m -132.37 9.73 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 123.632 0.773 . . . . 0.0 111.298 -174.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -141.58 165.65 26.91 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.097 1.359 . . . . 0.0 107.547 167.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.82 -50.79 3.94 Favored Glycine 0 CA--C 1.529 0.943 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 -166.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.7 m -59.09 150.34 5.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 153.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.41 31.2 1.88 Allowed Glycine 0 CA--C 1.529 0.953 0 C-N-CA 124.256 0.931 . . . . 0.0 113.771 -172.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -59.96 -32.7 71.07 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 118.442 1.121 . . . . 0.0 112.306 -171.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -53.05 -46.15 68.37 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 119.085 0.857 . . . . 0.0 110.291 175.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -73.82 -36.93 65.01 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.246 0.618 . . . . 0.0 110.471 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -56.27 -51.58 67.63 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.814 0.734 . . . . 0.0 110.01 175.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.0 t -61.5 -41.27 89.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 123.26 0.624 . . . . 0.0 109.783 178.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.17 -49.01 75.22 Favored 'General case' 0 C--N 1.342 0.264 0 CA-C-N 118.829 0.741 . . . . 0.0 110.969 178.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 95.8 mtp -72.47 -37.67 68.42 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 122.719 0.408 . . . . 0.0 110.507 -174.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -68.49 -29.37 67.96 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.347 0.521 . . . . 0.0 111.739 178.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.13 -45.21 58.13 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 118.921 0.782 . . . . 0.0 110.54 171.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -64.97 -44.45 89.33 Favored 'General case' 0 C--O 1.231 0.117 0 C-N-CA 123.788 0.835 . . . . 0.0 111.595 -174.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -16.18 50.36 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 175.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 tpt85 -110.48 7.25 22.61 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.191 1.396 . . . . 0.0 111.282 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt 48.63 33.06 3.86 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.318 1.847 . . . . 0.0 112.911 -178.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.0 mt -73.94 165.83 24.44 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 169.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -139.41 151.01 45.93 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.088 0.955 . . . . 0.0 109.051 176.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 141.64 -150.64 22.1 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -167.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.2 p90 -140.54 165.2 28.1 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 118.332 1.066 . . . . 0.0 112.671 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.1 p -131.38 141.01 47.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 N-CA-C 106.347 -1.723 . . . . 0.0 106.347 158.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -153.74 156.7 38.26 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 121.551 0.691 . . . . 0.0 112.722 -176.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.3 t30 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 114.565 -1.198 . . . . 0.0 109.551 169.73 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 45.7 mtm180 . . . . . 0 C--O 1.234 0.276 0 CA-C-O 122.453 1.12 . . . . 0.0 111.775 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 83.4 t -114.29 147.63 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 171.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -116.98 141.23 48.5 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 171.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.5 mt -128.8 144.93 36.57 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 N-CA-C 104.907 -2.257 . . . . 0.0 104.907 175.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.7 tt -143.92 128.27 17.86 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 105.115 -2.179 . . . . 0.0 105.115 174.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -142.74 152.76 42.66 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 118.501 0.591 . . . . 0.0 110.08 -178.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -125.26 155.05 40.74 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 125.752 1.621 . . . . 0.0 109.332 164.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 158.63 -168.58 34.89 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 123.951 0.786 . . . . 0.0 111.676 177.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -56.9 144.68 87.84 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 123.526 2.817 . . . . 0.0 111.5 172.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -62.48 -34.9 77.76 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.517 0.727 . . . . 0.0 111.211 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -67.15 -47.16 71.87 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.006 -1.058 . . . . 0.0 110.933 176.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.51 -46.01 90.08 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 123.688 0.795 . . . . 0.0 110.384 178.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 43.7 mt -62.27 -40.83 97.51 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 118.325 -0.845 . . . . 0.0 110.95 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -62.25 -48.33 80.41 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 119.974 1.261 . . . . 0.0 111.031 176.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.6 p -58.86 -33.48 70.51 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 118.711 0.687 . . . . 0.0 111.356 175.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -71.29 -33.9 70.14 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 117.423 -1.275 . . . . 0.0 111.177 178.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.5 t -62.21 -44.71 99.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-N 121.134 1.788 . . . . 0.0 108.973 168.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -60.8 -34.44 74.51 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.085 0.857 . . . . 0.0 111.36 -178.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.88 -54.16 21.05 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.101 0.56 . . . . 0.0 110.766 171.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.2 t -60.75 -42.94 94.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 124.494 1.118 . . . . 0.0 111.086 -173.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -66.43 -19.73 65.87 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 119.073 0.851 . . . . 0.0 112.655 -175.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -72.25 -22.12 61.28 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.945 0.793 . . . . 0.0 111.528 172.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.77 -169.66 41.51 Favored Glycine 0 CA--C 1.533 1.216 0 N-CA-C 109.069 -1.612 . . . . 0.0 109.069 -156.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 96.8 p -70.04 162.86 66.05 Favored Pre-proline 0 CA--C 1.539 0.532 0 O-C-N 121.34 -1.094 . . . . 0.0 108.107 157.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_exo -47.88 -26.57 7.4 Favored 'Trans proline' 0 CA--C 1.542 0.905 0 C-N-CA 123.415 2.744 . . . . 0.0 114.624 164.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -87.15 -23.95 24.66 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.704 0.802 . . . . 0.0 111.955 178.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.3 m -71.59 171.28 11.72 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.868 0.867 . . . . 0.0 111.777 -177.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -138.41 98.28 3.56 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 105.548 -2.019 . . . . 0.0 105.548 160.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 68.5 t -64.26 135.35 28.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 N-CA-C 106.745 -1.576 . . . . 0.0 106.745 168.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 56.6 p -115.8 -21.51 9.56 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.605 0.762 . . . . 0.0 110.678 175.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -157.29 156.31 32.21 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 124.621 1.168 . . . . 0.0 108.929 170.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.8 tt -146.78 146.67 18.51 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 C-N-CA 125.624 1.57 . . . . 0.0 107.924 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.5 m -136.76 145.32 44.45 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 125.69 1.596 . . . . 0.0 107.912 -176.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 49.9 t -138.06 142.91 34.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 C-N-CA 124.292 1.037 . . . . 0.0 108.414 -174.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.0 m -137.55 112.53 9.04 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 105.976 -1.861 . . . . 0.0 105.976 171.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -69.66 157.34 37.44 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 169.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 75.2 m -156.09 162.57 40.25 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.814 1.246 . . . . 0.0 109.545 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.4 mtt85 -140.29 42.16 1.91 Allowed 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.195 1.398 . . . . 0.0 108.475 -177.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.7 m -136.37 60.19 1.68 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 126.927 2.091 . . . . 0.0 106.428 -171.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.6 mp -55.57 153.15 8.12 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.688 1.595 . . . . 0.0 113.057 -161.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -73.71 -37.35 65.19 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.101 1.36 . . . . 0.0 110.175 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 65.86 24.93 71.71 Favored Glycine 0 CA--C 1.535 1.336 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 -162.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.92 134.72 57.3 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 -175.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -81.47 -16.23 52.6 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -172.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -153.84 174.64 14.31 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 125.924 1.69 . . . . 0.0 108.698 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -89.56 142.91 27.24 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 162.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.3 m -137.76 164.43 28.91 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 119.28 0.945 . . . . 0.0 112.001 -170.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.6 mt -112.86 140.32 33.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 N-CA-C 105.463 -2.051 . . . . 0.0 105.463 170.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.0 t . . . . . 0 CA--C 1.535 0.368 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 173.84 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.5 mtt . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 121.002 0.429 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -136.38 176.27 8.85 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 125.6 1.56 . . . . 0.0 108.555 -177.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -148.65 147.9 29.48 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 -178.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -141.85 170.5 15.59 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 123.282 0.633 . . . . 0.0 110.531 169.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -130.41 138.69 50.47 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 105.593 -2.003 . . . . 0.0 105.593 167.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.8 mt -132.47 140.23 48.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 106.17 -1.789 . . . . 0.0 106.17 -175.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.1 mm -125.39 135.12 64.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 N-CA-C 105.467 -2.049 . . . . 0.0 105.467 -174.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.4 t -133.73 135.11 55.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 -170.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -110.33 149.5 30.12 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 106.821 -1.548 . . . . 0.0 106.821 166.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.13 -174.38 36.89 Favored Glycine 0 N--CA 1.446 -0.642 0 CA-C-O 121.349 0.416 . . . . 0.0 112.556 176.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.6 ttp-105 -71.77 99.66 2.2 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 105.214 -2.143 . . . . 0.0 105.214 152.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.8 m -138.69 -28.66 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -177.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.3 mp0 -75.43 -56.85 4.31 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 120.165 1.348 . . . . 0.0 111.585 -172.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.17 -31.58 72.06 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.737 -0.545 . . . . 0.0 111.737 -172.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.6 m -73.74 -5.95 7.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 C-N-CA 125.07 1.348 . . . . 0.0 112.428 174.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.12 35.28 49.74 Favored Glycine 0 C--N 1.341 0.835 0 CA-C-N 119.066 0.848 . . . . 0.0 112.678 171.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -53.58 -34.67 59.2 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 118.332 1.066 . . . . 0.0 112.235 -178.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.7 ptt-85 -51.46 -37.42 48.75 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.552 -0.717 . . . . 0.0 112.83 175.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -72.39 -40.63 67.07 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 118.922 0.783 . . . . 0.0 109.948 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -60.11 -48.93 79.65 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 118.416 0.553 . . . . 0.0 110.018 176.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.1 t -52.77 -52.81 24.7 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 C-N-CA 124.009 0.924 . . . . 0.0 109.198 175.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -59.71 -45.51 91.9 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 118.237 0.471 . . . . 0.0 111.374 -176.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.8 mtt -74.88 -34.65 62.24 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.788 -0.57 . . . . 0.0 110.766 -172.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -73.9 -24.63 59.72 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.544 -0.723 . . . . 0.0 111.4 174.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.48 -46.94 62.78 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 119.194 0.906 . . . . 0.0 109.618 169.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -63.33 -39.16 93.77 Favored 'General case' 0 N--CA 1.458 -0.051 0 C-N-CA 124.283 1.033 . . . . 0.0 111.654 -176.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -21.99 66.88 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 118.915 0.779 . . . . 0.0 112.081 176.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.5 mmm-85 -98.06 4.7 49.21 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.323 1.049 . . . . 0.0 112.072 172.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt 48.99 33.96 5.1 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.976 1.711 . . . . 0.0 112.551 -173.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.4 mt -69.76 165.35 21.6 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 169.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.62 149.09 51.53 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 124.645 1.178 . . . . 0.0 108.335 175.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 160.03 -163.68 33.9 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 120.712 -0.756 . . . . 0.0 114.686 -169.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 1.4 p90 -135.78 163.14 30.87 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 123.963 0.905 . . . . 0.0 111.335 173.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.6 p -137.14 141.84 39.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 165.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -154.12 153.02 31.11 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 123.194 0.598 . . . . 0.0 111.338 177.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.1 t30 . . . . . 0 CA--C 1.535 0.379 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 163.729 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 . . . . . 0 CA--C 1.529 0.146 0 CA-C-O 121.475 0.655 . . . . 0.0 109.772 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.2 t -118.88 148.93 21.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 104.939 -2.245 . . . . 0.0 104.939 159.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -123.61 141.58 51.87 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 125.072 1.349 . . . . 0.0 107.939 177.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.7 mt -128.09 143.13 41.86 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 N-CA-C 104.079 -2.563 . . . . 0.0 104.079 178.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.3 tt -140.95 128.65 21.55 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 105.001 -2.222 . . . . 0.0 105.001 173.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -141.97 153.57 44.4 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 118.613 0.642 . . . . 0.0 110.319 -174.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -130.82 142.5 50.39 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 126.884 2.074 . . . . 0.0 107.63 175.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 170.19 -173.43 44.2 Favored Glycine 0 CA--C 1.527 0.811 0 CA-C-O 119.685 -0.508 . . . . 0.0 112.05 176.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -68.88 152.22 73.71 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 C-N-CA 122.425 2.083 . . . . 0.0 109.934 171.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -60.48 -39.77 88.89 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.119 0.568 . . . . 0.0 111.727 -170.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -61.84 -44.14 97.44 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 119.116 0.871 . . . . 0.0 111.414 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.34 -43.63 90.27 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.2 mt -62.03 -47.02 86.59 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 118.794 -0.622 . . . . 0.0 110.754 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -63.05 -44.88 94.63 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.703 1.138 . . . . 0.0 110.83 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.6 m -59.2 -37.62 77.88 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.214 0.531 . . . . 0.0 110.352 175.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -70.89 -29.74 65.9 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-O 117.12 -1.419 . . . . 0.0 111.696 176.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.3 t -62.92 -44.22 99.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 CA-C-N 121.51 1.959 . . . . 0.0 108.703 167.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.44 -34.98 74.76 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.005 0.82 . . . . 0.0 111.148 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.21 -54.49 20.61 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.287 0.494 . . . . 0.0 111.548 170.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.1 t -60.5 -42.98 93.33 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 124.736 1.215 . . . . 0.0 111.225 -172.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -64.28 -19.84 65.68 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.775 0.716 . . . . 0.0 112.507 -174.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -70.28 -27.24 64.26 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.48 0.582 . . . . 0.0 111.892 174.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.44 -174.41 38.51 Favored Glycine 0 CA--C 1.536 1.392 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -154.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.0 m -63.56 157.95 62.23 Favored Pre-proline 0 CA--C 1.54 0.584 0 O-C-N 121.15 -1.206 . . . . 0.0 108.016 157.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_exo -47.17 -34.04 16.93 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 123.199 2.599 . . . . 0.0 113.947 165.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -80.44 -19.69 45.52 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.115 0.966 . . . . 0.0 113.161 178.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.4 m -71.29 172.81 8.68 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 123.853 0.861 . . . . 0.0 112.006 -177.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -139.37 95.56 2.95 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 162.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 97.7 t -62.52 135.44 26.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 170.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.0 p -115.95 -23.82 8.39 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.074 0.95 . . . . 0.0 110.822 177.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -159.09 150.91 20.74 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.624 1.17 . . . . 0.0 108.868 172.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.4 tt -143.85 144.09 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 C-N-CA 124.674 1.19 . . . . 0.0 108.804 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 44.2 m -142.14 159.81 41.49 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.167 1.787 . . . . 0.0 109.126 -177.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.7 t -139.12 147.88 24.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 124.196 0.998 . . . . 0.0 109.423 -169.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -127.69 145.08 51.01 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 127.373 2.269 . . . . 0.0 105.053 166.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -127.22 139.72 52.73 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.4 m -150.87 165.86 32.34 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.063 0.545 . . . . 0.0 110.613 -159.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 83.0 mtt85 -137.1 25.25 3.0 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.742 1.217 . . . . 0.0 109.284 168.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.7 m -85.95 58.0 4.8 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.581 1.952 . . . . 0.0 107.887 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 37.5 mt -51.65 140.72 18.05 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.344 1.458 . . . . 0.0 112.712 -159.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -72.31 -35.02 68.54 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.715 1.206 . . . . 0.0 109.5 172.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 61.14 15.95 46.29 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 124.222 0.915 . . . . 0.0 112.947 -173.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -77.7 169.62 17.99 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.731 1.212 . . . . 0.0 110.374 -178.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 31.7 p-80 -128.87 10.22 5.94 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.329 1.452 . . . . 0.0 111.522 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -147.71 170.78 16.82 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 125.615 1.566 . . . . 0.0 108.875 -174.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.01 145.06 48.5 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.1 m -129.68 153.43 48.15 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.428 0.691 . . . . 0.0 110.862 -168.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 9.8 mt -115.54 133.28 62.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 N-CA-C 105.142 -2.17 . . . . 0.0 105.142 172.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 CA--C 1.534 0.334 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 -176.147 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.8 mmm . . . . . 0 N--CA 1.485 1.3 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 32.9 tp -145.95 172.44 13.37 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.388 1.475 . . . . 0.0 107.315 169.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -149.23 141.41 24.01 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 126.268 1.827 . . . . 0.0 107.315 -174.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -142.88 167.88 21.02 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 123.38 0.672 . . . . 0.0 111.093 171.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -126.51 140.16 52.67 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 105.771 -1.937 . . . . 0.0 105.771 166.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.7 mt -133.35 139.67 48.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 17.2 mm -112.89 143.55 22.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 105.248 -2.13 . . . . 0.0 105.248 174.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.5 t -138.07 137.48 44.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 -174.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -137.54 154.62 49.79 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 125.592 1.557 . . . . 0.0 109.402 -176.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.89 -157.01 23.16 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 125.552 1.549 . . . . 0.0 109.977 -175.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -72.62 84.72 1.16 Allowed 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 106.421 -1.696 . . . . 0.0 106.421 160.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.6 m -135.52 6.83 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 123.44 0.696 . . . . 0.0 111.635 -173.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -134.13 163.91 28.53 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 166.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.81 -50.7 3.92 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -167.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.4 m -60.03 150.21 6.45 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 156.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.25 37.21 2.19 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 124.341 0.972 . . . . 0.0 113.166 -173.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -59.67 -34.34 72.72 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.328 1.064 . . . . 0.0 112.348 -170.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 46.7 mtm-85 -53.09 -45.4 68.19 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.146 0.885 . . . . 0.0 111.189 173.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -70.87 -37.1 73.06 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 119.064 -0.493 . . . . 0.0 110.334 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -58.28 -53.39 58.78 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.88 0.763 . . . . 0.0 110.152 175.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.7 t -58.8 -40.23 79.27 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 123.169 0.587 . . . . 0.0 109.595 178.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -56.85 -49.68 74.72 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-N 118.435 0.562 . . . . 0.0 111.164 177.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.9 mtt -72.15 -37.21 69.45 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 122.453 0.301 . . . . 0.0 110.393 -173.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -70.74 -25.76 63.06 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.332 0.514 . . . . 0.0 111.802 177.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.05 -44.36 48.15 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 119.233 0.924 . . . . 0.0 110.259 170.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -65.54 -42.64 91.69 Favored 'General case' 0 C--O 1.231 0.109 0 C-N-CA 124.329 1.052 . . . . 0.0 111.554 -174.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -21.9 61.37 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.509 0.595 . . . . 0.0 111.99 175.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -108.47 7.3 26.83 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.83 1.252 . . . . 0.0 111.295 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt 44.91 36.7 2.0 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.417 1.887 . . . . 0.0 112.863 -176.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.7 mt -70.54 165.39 22.8 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 171.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.55 147.23 52.21 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 123.827 0.851 . . . . 0.0 109.267 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 139.98 -150.61 21.6 Favored Glycine 0 CA--C 1.531 1.091 0 N-CA-C 112.191 -0.363 . . . . 0.0 112.191 -169.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 13.1 p90 -149.81 167.14 27.39 Favored 'General case' 0 C--O 1.235 0.298 0 O-C-N 121.912 -0.758 . . . . 0.0 112.668 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.3 p -130.91 137.39 56.02 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 106.951 -1.5 . . . . 0.0 106.951 162.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -147.95 162.94 38.3 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 124.589 1.155 . . . . 0.0 110.996 -170.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.9 t30 . . . . . 0 CA--C 1.539 0.554 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 162.683 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? . . . . . 0 C--O 1.234 0.257 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.8 t -101.04 147.56 7.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 165.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -133.44 136.53 45.25 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 106.39 -1.707 . . . . 0.0 106.39 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.1 mt -131.22 143.83 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 104.483 -2.414 . . . . 0.0 104.483 -173.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.8 tt -142.08 125.97 17.15 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 105.475 -2.046 . . . . 0.0 105.475 175.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -141.59 152.41 44.0 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.132 0.573 . . . . 0.0 109.552 -175.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -133.28 154.18 50.91 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 125.321 1.448 . . . . 0.0 108.97 169.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.95 -171.31 38.71 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-O 119.661 -0.522 . . . . 0.0 112.094 -178.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -55.58 146.66 63.26 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 123.835 3.023 . . . . 0.0 111.405 167.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.52 -32.91 74.56 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.751 -0.593 . . . . 0.0 112.349 -176.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -70.21 -43.46 70.61 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.359 0.982 . . . . 0.0 110.463 177.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.11 -45.89 91.45 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.265 0.626 . . . . 0.0 109.771 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.3 mt -64.0 -44.51 92.41 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 118.348 -0.834 . . . . 0.0 111.47 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -63.66 -42.72 98.05 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 120.267 1.394 . . . . 0.0 110.935 178.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.6 m -58.56 -38.9 78.81 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.046 0.451 . . . . 0.0 110.137 174.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -70.41 -29.85 66.57 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 117.52 -1.229 . . . . 0.0 111.582 177.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.0 t -62.44 -45.16 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-N 121.239 1.836 . . . . 0.0 108.593 168.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -60.36 -37.63 81.31 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.823 0.738 . . . . 0.0 110.928 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.07 -49.52 69.72 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.027 0.376 . . . . 0.0 111.341 173.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.1 t -65.32 -46.36 90.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 C-N-CA 124.283 1.033 . . . . 0.0 111.019 -174.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -64.52 -23.46 67.28 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 119.079 0.854 . . . . 0.0 111.999 -173.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -66.08 -28.66 68.99 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.39 0.541 . . . . 0.0 111.549 174.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.54 -177.23 37.44 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 -156.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 98.3 p -67.02 159.81 74.18 Favored Pre-proline 0 CA--C 1.537 0.46 0 C-N-CA 118.855 -1.138 . . . . 0.0 108.217 159.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_exo -47.11 -27.5 6.36 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 123.447 2.765 . . . . 0.0 114.545 163.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -82.55 -27.08 31.84 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.537 0.735 . . . . 0.0 111.884 176.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.6 m -71.61 171.04 12.16 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.863 0.865 . . . . 0.0 111.428 -178.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -142.32 88.32 2.08 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 105.941 -1.874 . . . . 0.0 105.941 166.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 70.7 t -62.58 135.94 26.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 174.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.8 p -110.59 -27.04 9.14 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.182 0.993 . . . . 0.0 110.457 173.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -159.27 149.0 18.75 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 123.952 0.901 . . . . 0.0 110.125 -178.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 10.1 pt -131.25 160.81 42.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 125.129 1.372 . . . . 0.0 109.342 170.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.3 m -141.67 157.83 44.58 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.499 1.52 . . . . 0.0 108.211 174.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 40.1 t -139.48 146.89 24.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 C-N-CA 123.636 0.774 . . . . 0.0 109.651 -170.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -131.21 148.43 52.7 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 127.144 2.178 . . . . 0.0 105.368 167.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -132.96 151.73 52.02 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 119.596 1.089 . . . . 0.0 108.234 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 55.0 m -160.68 168.88 23.96 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.3 1.04 . . . . 0.0 109.886 -175.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -140.66 63.79 1.45 Allowed 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 165.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.4 m -134.83 61.98 1.66 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 127.631 2.372 . . . . 0.0 105.298 -176.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -53.43 149.56 7.55 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 126.531 1.932 . . . . 0.0 113.202 -154.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -70.26 -29.8 66.68 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.466 1.106 . . . . 0.0 109.747 170.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 58.89 31.18 67.6 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.047 0.832 . . . . 0.0 112.093 -177.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -85.03 167.94 15.36 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.939 1.296 . . . . 0.0 109.811 -178.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -130.14 10.71 5.42 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.486 1.115 . . . . 0.0 111.441 -178.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -147.75 161.46 41.18 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 125.036 1.335 . . . . 0.0 108.985 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -100.65 156.23 17.43 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 166.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -138.64 158.62 43.89 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 122.883 0.473 . . . . 0.0 111.853 -168.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 40.5 mt -115.42 143.35 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 106.634 -1.617 . . . . 0.0 106.634 168.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.539 0.522 0 N-CA-C 106.874 -1.528 . . . . 0.0 106.874 167.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.482 1.127 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 33.9 tp -149.02 -179.95 7.41 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.718 2.007 . . . . 0.0 107.232 176.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -145.83 148.79 33.27 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 126.526 1.93 . . . . 0.0 107.119 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -145.46 168.11 21.34 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 123.414 0.685 . . . . 0.0 111.295 169.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -129.31 139.14 51.86 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 105.732 -1.951 . . . . 0.0 105.732 165.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.2 mt -134.14 144.58 34.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 106.601 -1.629 . . . . 0.0 106.601 -173.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 14.8 mm -124.78 142.97 39.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 N-CA-C 105.633 -1.988 . . . . 0.0 105.633 177.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.0 t -136.62 139.72 44.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 -176.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -124.14 155.93 37.58 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 125.776 1.63 . . . . 0.0 108.682 177.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.17 -159.57 24.07 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 124.581 1.086 . . . . 0.0 110.979 173.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.3 ttp-105 -73.0 79.59 1.19 Allowed 'General case' 0 C--O 1.227 -0.12 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 159.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.9 m -129.3 4.54 2.62 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 C-N-CA 124.538 1.135 . . . . 0.0 110.064 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -139.64 156.68 46.7 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.844 2.058 . . . . 0.0 105.628 172.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.91 15.18 73.81 Favored Glycine 0 CA--C 1.539 1.534 0 N-CA-C 111.76 -0.536 . . . . 0.0 111.76 -160.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.1 m -142.55 160.13 19.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 128.154 2.581 . . . . 0.0 105.484 174.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.36 24.2 1.43 Allowed Glycine 0 CA--C 1.532 1.103 0 C-N-CA 123.903 0.764 . . . . 0.0 114.286 -172.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -60.51 -35.61 76.37 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.825 1.313 . . . . 0.0 112.433 -171.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.0 mtt85 -59.43 -39.59 84.02 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.529 1.059 . . . . 0.0 110.417 178.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -71.91 -37.17 70.12 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 119.023 -0.513 . . . . 0.0 110.7 176.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -56.61 -52.39 65.03 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 118.934 0.788 . . . . 0.0 109.755 175.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.03 -42.88 91.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 123.812 0.845 . . . . 0.0 109.864 177.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -56.07 -49.12 74.69 Favored 'General case' 0 C--N 1.34 0.19 0 CA-C-N 118.689 0.677 . . . . 0.0 110.892 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.4 mmm -75.85 -34.71 60.08 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 119.436 -0.316 . . . . 0.0 110.42 -173.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -67.26 -31.1 71.2 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.407 0.549 . . . . 0.0 111.49 175.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.7 -44.49 64.11 Favored 'General case' 0 CA--C 1.528 0.114 0 CA-C-N 119.14 0.882 . . . . 0.0 110.484 172.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -65.92 -43.07 89.17 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 123.559 0.744 . . . . 0.0 111.797 -175.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.67 -18.0 63.53 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.009 0.822 . . . . 0.0 112.207 175.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.2 tpt85 -105.27 3.68 30.24 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.938 1.295 . . . . 0.0 111.377 177.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm 41.66 42.21 1.98 Allowed 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 127.181 2.193 . . . . 0.0 112.811 -174.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 79.5 mt -73.44 165.25 25.41 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 166.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.24 146.54 51.13 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 124.155 0.982 . . . . 0.0 109.206 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 142.99 -154.24 25.24 Favored Glycine 0 CA--C 1.533 1.171 0 CA-C-N 118.044 0.384 . . . . 0.0 112.49 -170.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 7.7 p90 -140.96 164.54 29.99 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 118.047 0.924 . . . . 0.0 112.726 -178.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 p -132.04 143.77 39.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 159.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -156.36 161.07 40.18 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 123.011 0.524 . . . . 0.0 112.036 -174.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 . . . . . 0 CA--C 1.532 0.277 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 158.555 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.1 mmp_? . . . . . 0 C--O 1.236 0.355 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.8 t -99.72 146.0 9.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 105.13 -2.174 . . . . 0.0 105.13 159.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -122.96 139.81 53.68 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 106.268 -1.753 . . . . 0.0 106.268 171.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.1 mt -130.56 144.96 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 N-CA-C 104.743 -2.318 . . . . 0.0 104.743 178.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.9 tt -142.61 128.28 19.22 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 104.71 -2.33 . . . . 0.0 104.71 176.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -142.03 153.28 44.12 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.257 0.551 . . . . 0.0 109.847 -176.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -143.4 139.16 29.84 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 126.239 1.816 . . . . 0.0 106.753 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 159.82 -167.5 35.33 Favored Glycine 0 CA--C 1.526 0.74 0 CA-C-O 119.327 -0.707 . . . . 0.0 111.677 -177.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -52.78 136.74 59.62 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 123.206 2.604 . . . . 0.0 111.032 172.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -61.0 -33.56 73.44 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.787 -0.571 . . . . 0.0 111.763 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -65.36 -43.66 90.11 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.111 0.869 . . . . 0.0 111.265 175.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.9 -43.16 99.54 Favored 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 123.003 0.521 . . . . 0.0 109.814 176.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 54.2 mt -63.55 -46.0 87.95 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-O 118.423 -0.799 . . . . 0.0 110.942 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -60.5 -43.72 96.75 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 120.179 1.354 . . . . 0.0 110.64 177.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.2 m -58.06 -39.56 78.79 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.033 0.444 . . . . 0.0 110.499 174.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -69.9 -33.86 72.76 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 117.313 -1.327 . . . . 0.0 111.428 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.0 t -62.02 -45.07 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-N 121.283 1.856 . . . . 0.0 108.889 169.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.76 -34.64 74.76 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.879 0.763 . . . . 0.0 111.221 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.8 -52.94 31.19 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.236 0.471 . . . . 0.0 111.321 171.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 19.2 t -61.11 -42.97 95.3 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 C-N-CA 124.715 1.206 . . . . 0.0 111.044 -173.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -65.03 -18.65 65.48 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.986 0.812 . . . . 0.0 112.839 -175.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -67.72 -27.17 66.58 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.864 0.756 . . . . 0.0 111.597 172.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.6 -174.2 35.94 Favored Glycine 0 CA--C 1.533 1.173 0 N-CA-C 109.086 -1.606 . . . . 0.0 109.086 -153.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 95.9 p -68.05 162.58 58.46 Favored Pre-proline 0 CA--C 1.537 0.457 0 O-C-N 120.895 -1.356 . . . . 0.0 107.627 157.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -58.06 -17.13 29.97 Favored 'Trans proline' 0 CA--C 1.544 1.009 0 C-N-CA 122.162 1.908 . . . . 0.0 113.391 167.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -85.82 -23.46 27.16 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.26 0.936 . . . . 0.0 111.898 173.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.3 m -74.61 172.61 11.74 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.936 0.894 . . . . 0.0 112.015 -177.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -139.29 101.72 4.32 Favored 'General case' 0 C--O 1.231 0.094 0 N-CA-C 105.36 -2.089 . . . . 0.0 105.36 158.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 66.6 t -64.01 135.94 27.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 167.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 69.1 p -115.62 -22.74 9.07 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.37 0.668 . . . . 0.0 110.756 174.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -156.61 154.47 30.24 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 124.443 1.097 . . . . 0.0 109.034 172.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.4 tt -147.73 146.21 18.28 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 C-N-CA 125.585 1.554 . . . . 0.0 107.963 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.9 m -138.3 147.2 43.32 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 125.796 1.638 . . . . 0.0 108.197 -176.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.0 t -138.3 143.68 32.23 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 124.231 1.012 . . . . 0.0 108.443 -173.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.2 m -137.39 112.25 8.93 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 105.894 -1.891 . . . . 0.0 105.894 171.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -71.18 160.9 32.01 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 168.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 63.5 m -156.6 164.09 38.59 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 124.818 1.247 . . . . 0.0 109.309 176.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 50.5 ttm-85 -140.32 58.94 1.57 Allowed 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 174.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.5 m -134.68 55.53 1.89 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 127.06 2.144 . . . . 0.0 106.326 178.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.6 mp -52.17 147.53 7.47 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 126.775 2.03 . . . . 0.0 113.103 -156.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -64.71 -33.79 76.8 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.661 1.184 . . . . 0.0 112.104 -176.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.98 14.04 54.62 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 123.79 0.71 . . . . 0.0 112.709 -173.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -79.48 166.21 22.22 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.714 1.206 . . . . 0.0 109.784 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -135.56 19.59 3.33 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.347 1.059 . . . . 0.0 111.248 -178.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -151.95 162.22 41.42 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 124.776 1.231 . . . . 0.0 109.117 176.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -106.12 152.89 22.84 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 170.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.1 m -138.28 156.28 47.8 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.105 0.562 . . . . 0.0 111.686 -174.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.3 mt -104.24 136.29 38.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 104.516 -2.402 . . . . 0.0 104.516 162.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 39.9 t . . . . . 0 CA--C 1.537 0.463 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 -176.479 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.0 mtt . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.786 0.327 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -143.33 177.82 8.16 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.728 1.611 . . . . 0.0 108.364 -178.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -152.9 154.93 36.06 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.124 1.369 . . . . 0.0 107.593 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -148.2 166.29 28.35 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 121.774 -0.579 . . . . 0.0 110.448 165.147 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 34.9 ttm-85 -115.1 140.73 48.82 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 105.645 -1.983 . . . . 0.0 105.645 160.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.0 mt -132.13 139.89 49.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 106.553 -1.647 . . . . 0.0 106.553 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.4 mm -117.45 141.3 36.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 N-CA-C 105.145 -2.169 . . . . 0.0 105.145 173.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.6 t -136.23 138.8 46.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 -176.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -136.76 153.16 50.92 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 125.192 1.397 . . . . 0.0 109.317 -171.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.15 -154.49 21.22 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 -178.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.6 ttp-105 -74.25 82.39 1.85 Allowed 'General case' 0 N--CA 1.461 0.077 0 N-CA-C 106.234 -1.765 . . . . 0.0 106.234 162.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.5 m -130.65 9.55 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 C-N-CA 123.65 0.78 . . . . 0.0 111.175 -174.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -134.37 149.88 50.87 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 173.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.5 18.44 79.4 Favored Glycine 0 CA--C 1.534 1.267 0 CA-C-O 119.693 -0.504 . . . . 0.0 112.699 -169.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.9 m -136.82 21.94 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 125.796 1.638 . . . . 0.0 110.749 -174.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 69.2 10.92 63.22 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 124.379 0.99 . . . . 0.0 114.158 175.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -63.2 -36.54 83.99 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.959 1.38 . . . . 0.0 112.655 -166.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.5 mtm180 -58.79 -40.57 84.43 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.927 1.24 . . . . 0.0 110.824 176.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -69.18 -39.22 78.85 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 118.259 0.482 . . . . 0.0 110.302 177.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -57.48 -52.87 63.62 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.718 0.69 . . . . 0.0 109.896 175.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.6 t -58.79 -41.13 81.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 C-N-CA 123.553 0.741 . . . . 0.0 109.743 178.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -56.89 -49.95 73.98 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 118.723 0.692 . . . . 0.0 110.968 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 96.8 mtp -72.11 -37.11 69.58 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 122.626 0.37 . . . . 0.0 110.481 -173.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -71.61 -28.03 63.52 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 118.426 0.557 . . . . 0.0 111.73 177.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.43 -44.56 64.61 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 119.207 0.912 . . . . 0.0 110.042 171.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -64.79 -43.97 91.49 Favored 'General case' 0 C--O 1.231 0.088 0 C-N-CA 123.903 0.881 . . . . 0.0 111.471 -175.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -25.2 66.93 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 118.623 0.647 . . . . 0.0 111.646 176.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.0 tpt85 -99.8 6.72 45.38 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.44 1.096 . . . . 0.0 111.674 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt 48.6 34.18 4.78 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.533 1.933 . . . . 0.0 112.922 -178.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 80.4 mt -73.8 165.56 24.9 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 121.828 -0.545 . . . . 0.0 109.545 172.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.69 147.15 50.73 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 124.14 0.976 . . . . 0.0 108.751 175.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 145.03 -156.43 26.93 Favored Glycine 0 CA--C 1.529 0.941 0 CA-C-N 117.948 0.34 . . . . 0.0 112.389 -169.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 1.8 p90 -143.25 167.29 22.48 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 117.82 0.81 . . . . 0.0 112.802 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.5 p -135.7 141.41 42.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 159.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -152.82 170.76 19.52 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.789 1.236 . . . . 0.0 111.435 -178.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 . . . . . 0 CA--C 1.538 0.499 0 C-N-CA 123.452 0.701 . . . . 0.0 109.719 162.633 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 . . . . . 0 N--CA 1.467 0.41 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.8 t -108.65 147.3 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 106.182 -1.784 . . . . 0.0 106.182 165.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -133.83 134.23 42.56 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.49 1.516 . . . . 0.0 107.055 -177.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 17.8 mt -130.9 146.48 33.91 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 N-CA-C 104.778 -2.305 . . . . 0.0 104.778 -172.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.1 tt -143.68 129.19 19.08 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 105.19 -2.152 . . . . 0.0 105.19 174.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -141.4 154.27 45.52 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.17 0.588 . . . . 0.0 109.894 -176.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -142.04 141.19 32.79 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 126.588 1.955 . . . . 0.0 107.103 178.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 161.95 -168.82 37.17 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-O 119.627 -0.541 . . . . 0.0 112.144 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -54.16 146.02 51.25 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 123.587 2.858 . . . . 0.0 111.86 171.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -59.77 -45.07 93.41 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.022 0.529 . . . . 0.0 110.575 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -62.86 -43.71 98.08 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.949 -0.469 . . . . 0.0 111.294 -178.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.98 -45.83 91.42 Favored 'General case' 0 C--N 1.34 0.157 0 C-N-CA 123.195 0.598 . . . . 0.0 110.401 175.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.2 mt -63.14 -40.53 97.84 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 118.32 -0.848 . . . . 0.0 110.982 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -63.51 -46.89 84.0 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 120.173 1.351 . . . . 0.0 110.903 177.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.8 m -57.6 -36.58 71.94 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.411 0.55 . . . . 0.0 110.915 174.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -70.51 -32.83 70.48 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 117.369 -1.3 . . . . 0.0 111.671 178.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.92 -45.23 99.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-N 121.257 1.844 . . . . 0.0 108.763 169.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.85 -34.44 74.59 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.673 0.67 . . . . 0.0 111.434 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.7 -53.19 29.62 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 122.908 0.483 . . . . 0.0 110.955 171.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.1 t -61.22 -43.66 96.88 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 C-N-CA 124.457 1.103 . . . . 0.0 110.939 -173.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -64.39 -18.54 64.79 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 119.032 0.833 . . . . 0.0 112.926 -176.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -69.32 -23.49 63.8 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.071 0.85 . . . . 0.0 111.835 174.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.57 -170.04 43.42 Favored Glycine 0 CA--C 1.534 1.231 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 -157.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 97.7 p -69.75 162.51 67.27 Favored Pre-proline 0 CA--C 1.539 0.544 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 157.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_exo -48.25 -25.54 7.14 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 123.493 2.795 . . . . 0.0 114.569 164.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -90.84 -18.86 24.13 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.066 0.946 . . . . 0.0 112.148 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.0 m -73.5 170.83 14.32 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.894 0.878 . . . . 0.0 112.007 -179.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -137.73 97.94 3.55 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 105.383 -2.08 . . . . 0.0 105.383 159.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.8 t -63.79 135.47 27.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 168.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.4 p -119.24 -18.78 8.55 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.845 0.858 . . . . 0.0 110.673 174.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -155.66 153.48 30.08 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 124.156 0.982 . . . . 0.0 109.456 171.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.2 tt -147.46 147.25 17.61 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 C-N-CA 125.809 1.644 . . . . 0.0 107.763 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.3 m -138.75 146.31 41.28 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 125.682 1.593 . . . . 0.0 108.037 -175.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 49.0 t -136.56 142.4 38.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 -173.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.6 m -136.63 92.78 2.79 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 177.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -63.61 139.67 58.79 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 173.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.7 m -145.41 165.97 26.98 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.683 1.593 . . . . 0.0 108.926 -170.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -144.81 22.29 1.6 Allowed 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.259 -0.901 . . . . 0.0 112.684 174.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.4 m -87.76 62.89 7.21 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 106.89 -1.522 . . . . 0.0 106.89 173.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.8 mt -52.09 144.45 12.16 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.305 1.442 . . . . 0.0 112.837 -158.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -63.22 -36.63 84.28 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.451 1.1 . . . . 0.0 112.033 -173.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.03 11.73 39.8 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 123.925 0.774 . . . . 0.0 112.984 -173.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -76.59 167.17 22.3 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.843 1.257 . . . . 0.0 109.532 178.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -128.21 10.28 6.3 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.185 0.994 . . . . 0.0 111.55 -178.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -147.2 166.32 27.37 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 124.698 1.199 . . . . 0.0 109.416 174.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -100.0 153.57 19.09 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 165.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.9 m -138.98 148.69 43.82 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.077 0.853 . . . . 0.0 112.623 -173.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 42.2 mt -90.84 130.69 39.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 N-CA-C 104.571 -2.381 . . . . 0.0 104.571 164.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 97.8 t . . . . . 0 CA--C 1.536 0.427 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 -174.483 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.486 1.329 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 56.2 mt -135.35 172.06 13.55 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 125.347 1.459 . . . . 0.0 108.379 177.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -134.95 148.39 50.02 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 126.324 1.85 . . . . 0.0 107.094 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -142.63 167.68 21.52 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.486 0.66 . . . . 0.0 111.112 162.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 25.2 ttt180 -126.03 134.63 51.37 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 104.963 -2.236 . . . . 0.0 104.963 166.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.1 mt -131.6 139.5 50.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 -173.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.9 mm -121.32 142.1 38.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 105.716 -1.957 . . . . 0.0 105.716 177.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.1 t -137.54 146.11 28.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -170.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -140.22 150.83 44.61 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 125.866 1.666 . . . . 0.0 108.993 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 139.17 -156.12 24.29 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.701 -0.959 . . . . 0.0 110.701 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -72.94 87.47 1.33 Allowed 'General case' 0 N--CA 1.462 0.142 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 164.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.7 m -129.32 15.75 2.58 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 124.767 1.227 . . . . 0.0 110.718 178.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.6 mp0 -137.81 161.86 35.47 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 126.389 1.876 . . . . 0.0 107.075 164.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.7 13.25 71.53 Favored Glycine 0 CA--C 1.537 1.407 0 N-CA-C 111.698 -0.561 . . . . 0.0 111.698 -165.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.4 m -146.83 154.35 12.09 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 128.055 2.542 . . . . 0.0 105.815 -178.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.37 36.12 2.21 Favored Glycine 0 CA--C 1.528 0.879 0 C-N-CA 123.83 0.729 . . . . 0.0 113.407 -171.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -63.19 -34.31 77.36 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.946 1.373 . . . . 0.0 112.41 -168.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.416 ' NH2' ' H ' ' A' ' 36' ' ' ASN . 56.3 mtt-85 -54.53 -48.69 71.67 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.106 0.866 . . . . 0.0 110.368 173.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -67.76 -41.34 83.49 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.347 0.659 . . . . 0.0 110.371 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -56.59 -54.13 49.55 Favored 'General case' 0 C--N 1.341 0.213 0 C-N-CA 123.024 0.53 . . . . 0.0 109.895 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.9 t -60.94 -41.45 88.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 123.5 0.72 . . . . 0.0 109.811 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.418 HE22 ' C ' ' A' ' 87' ' ' SER . 1.7 tp-100 -56.16 -50.12 72.04 Favored 'General case' 0 C--N 1.342 0.262 0 CA-C-N 118.754 0.706 . . . . 0.0 110.789 179.11 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.2 mmt -78.17 -32.81 50.35 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 119.2 -0.428 . . . . 0.0 110.778 -172.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -67.18 -31.98 72.76 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.696 0.68 . . . . 0.0 111.315 174.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.12 -45.8 62.91 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 119.026 0.83 . . . . 0.0 110.506 172.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -64.43 -44.23 91.82 Favored 'General case' 0 C--O 1.23 0.07 0 C-N-CA 123.613 0.765 . . . . 0.0 111.517 -174.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -18.29 64.83 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.727 -0.608 . . . . 0.0 112.211 177.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -104.37 10.82 35.24 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.649 1.18 . . . . 0.0 111.186 176.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.4 mttm 49.56 33.93 6.4 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.927 2.091 . . . . 0.0 113.195 178.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.6 mt -75.38 165.56 24.95 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 171.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -134.15 150.42 51.11 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.553 1.141 . . . . 0.0 108.434 172.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 144.24 -150.98 23.06 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -167.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -146.38 166.98 24.72 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 118.436 1.118 . . . . 0.0 113.275 179.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.2 p -131.99 140.76 47.2 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 C-N-CA 124.372 1.069 . . . . 0.0 108.146 160.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 44.4 pttt -152.93 150.51 29.34 Favored 'General case' 0 CA--C 1.523 -0.07 0 C-N-CA 124.191 0.996 . . . . 0.0 109.319 175.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.416 ' H ' ' NH2' ' A' ' 18' ' ' ARG . 2.9 p-10 . . . . . 0 C--O 1.232 0.175 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 161.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.201 0 CA-C-O 121.742 0.782 . . . . 0.0 109.43 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.5 t -119.67 148.64 22.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 106.498 -1.667 . . . . 0.0 106.498 173.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -124.71 138.95 54.26 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 125.473 1.509 . . . . 0.0 107.511 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.5 mt -130.88 141.77 45.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 N-CA-C 104.421 -2.437 . . . . 0.0 104.421 176.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.0 tt -142.67 126.94 17.59 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 105.119 -2.178 . . . . 0.0 105.119 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -143.7 152.15 40.95 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 118.656 0.662 . . . . 0.0 110.412 -173.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -142.71 144.43 32.69 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 125.993 1.717 . . . . 0.0 108.193 177.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 158.47 -164.88 33.72 Favored Glycine 0 CA--C 1.533 1.187 0 CA-C-O 119.657 -0.524 . . . . 0.0 112.444 -175.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -56.21 137.84 81.13 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 124.164 3.243 . . . . 0.0 111.939 173.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -59.82 -32.2 70.43 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.243 -0.911 . . . . 0.0 112.644 -175.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -73.39 -27.46 61.48 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.35 -0.844 . . . . 0.0 111.498 176.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.83 -40.46 61.04 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 178.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.9 mp -58.48 -48.98 78.99 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 118.89 -0.576 . . . . 0.0 110.569 172.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -61.49 -46.48 89.84 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.285 0.948 . . . . 0.0 111.193 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.7 m -55.79 -40.44 72.68 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 121.32 0.581 . . . . 0.0 110.535 175.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -72.64 -30.06 63.99 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-O 117.0 -1.476 . . . . 0.0 111.543 -178.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.7 t -64.18 -44.28 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 121.652 2.023 . . . . 0.0 108.583 168.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -59.99 -34.0 72.72 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.246 0.93 . . . . 0.0 111.171 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.34 -56.0 10.07 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 122.866 0.466 . . . . 0.0 111.375 170.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.1 t -60.55 -42.3 90.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 124.755 1.222 . . . . 0.0 111.16 -172.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -64.54 -21.73 66.77 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.759 0.709 . . . . 0.0 112.364 -175.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -71.47 -28.84 64.22 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.602 0.637 . . . . 0.0 111.366 173.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.9 -176.94 35.71 Favored Glycine 0 CA--C 1.534 1.23 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 -155.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.82 157.17 61.56 Favored Pre-proline 0 CA--C 1.541 0.631 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 158.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -46.21 -34.9 14.4 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 123.436 2.757 . . . . 0.0 114.461 168.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -79.17 -26.92 42.66 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.752 0.821 . . . . 0.0 112.761 176.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.0 m -71.23 173.18 8.05 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.599 1.159 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -145.56 99.07 3.23 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 106.088 -1.819 . . . . 0.0 106.088 167.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 67.8 t -65.22 135.14 28.77 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 167.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.1 p -120.01 -18.88 8.04 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.812 0.845 . . . . 0.0 110.774 175.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -153.8 149.52 27.5 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 124.503 1.121 . . . . 0.0 109.059 170.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.1 tt -147.36 145.21 19.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 125.504 1.522 . . . . 0.0 107.733 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 67.4 m -136.7 149.93 48.17 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 126.188 1.795 . . . . 0.0 108.229 -178.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.9 t -140.77 145.02 26.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 124.186 0.994 . . . . 0.0 108.679 -171.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.1 m -134.55 119.77 18.84 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 105.584 -2.006 . . . . 0.0 105.584 165.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -103.11 154.64 19.08 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 123.885 0.874 . . . . 0.0 109.362 177.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.1 m -164.73 175.19 9.92 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.334 1.454 . . . . 0.0 109.918 -171.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -122.33 23.9 9.57 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.469 1.108 . . . . 0.0 109.761 170.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.7 m -82.47 70.0 9.34 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 125.721 1.608 . . . . 0.0 107.027 175.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 23.2 mt -63.45 138.01 58.36 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.23 -165.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -74.01 -39.0 63.9 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 122.993 0.517 . . . . 0.0 111.63 -172.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 62.17 27.71 69.51 Favored Glycine 0 CA--C 1.536 1.363 0 N-CA-C 111.729 -0.548 . . . . 0.0 111.729 -167.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -65.78 146.31 54.93 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 117.881 0.84 . . . . 0.0 109.535 -176.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -70.79 -29.11 65.2 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -172.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -158.48 177.71 10.94 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 126.157 1.783 . . . . 0.0 108.328 -175.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -86.37 141.08 29.45 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 160.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.418 ' C ' HE22 ' A' ' 22' ' ' GLN . 45.3 m -134.24 152.74 51.98 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 119.616 1.098 . . . . 0.0 112.431 -170.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 26.0 mt -94.59 125.36 47.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 104.403 -2.443 . . . . 0.0 104.403 167.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 73.5 t . . . . . 0 CA--C 1.537 0.449 0 C-N-CA 123.915 0.886 . . . . 0.0 108.752 -169.103 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 mmt . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.83 0.348 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -142.08 175.16 9.96 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 125.737 1.615 . . . . 0.0 108.083 177.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -152.75 149.98 28.93 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 123.335 0.654 . . . . 0.0 109.385 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -144.59 169.83 17.22 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 123.438 0.695 . . . . 0.0 111.181 169.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -128.33 137.41 51.92 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 105.769 -1.938 . . . . 0.0 105.769 168.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.7 mt -134.22 136.68 52.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 -177.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.6 mp -117.55 140.12 41.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 N-CA-C 104.961 -2.237 . . . . 0.0 104.961 176.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.7 t -136.85 139.38 44.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 N-CA-C 107.316 -1.365 . . . . 0.0 107.316 -170.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -141.27 152.93 44.92 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 125.108 1.363 . . . . 0.0 109.442 -176.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.95 -156.81 22.71 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 109.419 -1.472 . . . . 0.0 109.419 -174.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -72.07 82.56 0.97 Allowed 'General case' 0 C--O 1.227 -0.129 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 164.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.5 m -132.48 -14.73 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 124.774 1.23 . . . . 0.0 111.014 173.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -98.53 -28.05 13.76 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 121.182 -0.949 . . . . 0.0 111.274 -178.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.48 11.29 61.69 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 124.144 0.878 . . . . 0.0 112.457 176.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.0 m -141.92 163.72 19.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 C-N-CA 127.213 2.205 . . . . 0.0 106.808 -177.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.51 35.55 2.02 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 124.121 0.867 . . . . 0.0 113.617 -173.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -56.1 -37.14 68.97 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 118.941 1.371 . . . . 0.0 112.257 -171.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.4 mtm-85 -58.86 -35.41 72.92 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.213 -0.929 . . . . 0.0 111.396 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -72.5 -39.71 67.42 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.539 0.609 . . . . 0.0 110.626 175.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -57.0 -50.06 73.88 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.843 0.747 . . . . 0.0 109.711 175.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.2 t -58.48 -43.0 85.9 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 123.894 0.878 . . . . 0.0 109.848 177.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.409 HE22 ' C ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -56.38 -51.18 69.29 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-N 119.444 1.02 . . . . 0.0 110.611 178.125 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 77.1 mtm -70.67 -37.85 73.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 119.516 -0.278 . . . . 0.0 110.589 -173.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -68.3 -33.0 73.54 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.328 0.513 . . . . 0.0 111.573 178.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.38 -44.17 68.58 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 118.75 0.705 . . . . 0.0 110.561 173.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -65.39 -45.01 85.71 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 123.838 0.855 . . . . 0.0 111.357 -175.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -15.84 62.8 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 121.729 -0.607 . . . . 0.0 112.452 176.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -107.18 12.0 28.82 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.776 1.23 . . . . 0.0 111.155 175.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt 49.66 34.74 7.61 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.937 2.095 . . . . 0.0 113.367 177.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.1 mt -75.46 168.15 20.55 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 121.909 -0.494 . . . . 0.0 109.726 172.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -137.67 151.88 48.72 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 124.414 1.085 . . . . 0.0 109.145 173.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 140.88 -149.01 20.67 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -173.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 3.7 p90 -137.28 163.08 31.8 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -178.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.1 p -131.75 139.46 50.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 N-CA-C 106.333 -1.728 . . . . 0.0 106.333 159.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -153.29 162.08 41.68 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 122.951 0.5 . . . . 0.0 112.064 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.9 t30 . . . . . 0 C--O 1.234 0.257 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 159.682 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? . . . . . 0 N--CA 1.464 0.233 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.2 t -96.3 145.6 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 106.391 -1.707 . . . . 0.0 106.391 166.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -128.18 141.82 51.36 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 125.857 1.663 . . . . 0.0 107.223 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 27.8 mt -131.66 140.75 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 N-CA-C 104.32 -2.474 . . . . 0.0 104.32 -177.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.8 tt -144.18 119.96 10.54 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 105.523 -2.029 . . . . 0.0 105.523 174.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -141.05 141.97 34.23 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 121.284 0.564 . . . . 0.0 111.021 -173.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -110.68 144.4 39.67 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 128.191 2.596 . . . . 0.0 107.359 174.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 169.85 -174.43 44.05 Favored Glycine 0 CA--C 1.527 0.812 0 CA-C-O 119.615 -0.547 . . . . 0.0 112.461 172.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -69.89 153.88 67.84 Favored 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 122.282 1.988 . . . . 0.0 110.108 172.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -57.65 -46.94 83.55 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.548 0.739 . . . . 0.0 111.62 -168.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -74.0 -29.19 61.83 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 119.18 0.9 . . . . 0.0 112.42 -174.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.89 -45.23 90.28 Favored 'General case' 0 CA--C 1.527 0.091 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 171.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 51.7 mt -62.65 -42.79 99.8 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 118.421 -0.8 . . . . 0.0 110.832 177.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -57.89 -49.76 75.63 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 119.885 1.22 . . . . 0.0 110.411 175.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.2 m -56.51 -40.2 74.6 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.064 0.546 . . . . 0.0 110.105 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -70.6 -32.43 69.8 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-O 117.17 -1.395 . . . . 0.0 111.507 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.69 -45.07 99.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-N 121.597 1.998 . . . . 0.0 109.02 169.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -59.36 -38.3 80.08 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.924 0.784 . . . . 0.0 110.565 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.54 -50.97 61.4 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.054 0.542 . . . . 0.0 111.335 173.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.7 t -64.16 -44.06 97.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 124.176 0.99 . . . . 0.0 110.823 -173.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.1 pttt -65.41 -24.34 67.18 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 119.118 0.872 . . . . 0.0 112.307 -175.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -67.79 -27.55 66.84 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.338 0.517 . . . . 0.0 111.389 173.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.37 -175.65 36.07 Favored Glycine 0 CA--C 1.534 1.233 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 -155.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 91.1 p -66.14 161.59 54.9 Favored Pre-proline 0 CA--C 1.539 0.528 0 O-C-N 121.054 -1.262 . . . . 0.0 108.355 161.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_exo -46.95 -27.16 5.55 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 123.458 2.772 . . . . 0.0 114.62 163.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -85.29 -24.25 27.79 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.64 0.776 . . . . 0.0 111.937 177.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.9 m -73.32 171.66 12.64 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.832 0.853 . . . . 0.0 112.257 -176.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -141.79 98.47 3.35 Favored 'General case' 0 C--N 1.334 -0.073 0 N-CA-C 105.704 -1.961 . . . . 0.0 105.704 159.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.4 t -64.71 135.68 27.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 107.1 -1.444 . . . . 0.0 107.1 169.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.5 p -120.28 -17.81 8.15 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.883 0.873 . . . . 0.0 110.926 174.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -153.26 146.93 25.11 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.317 1.047 . . . . 0.0 109.14 171.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.0 tt -147.41 142.55 19.94 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 125.463 1.505 . . . . 0.0 107.519 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.2 m -138.71 154.62 48.59 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 125.498 1.519 . . . . 0.0 108.819 -178.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 50.8 t -137.0 146.14 28.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 C-N-CA 124.265 1.026 . . . . 0.0 109.099 -169.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -134.34 153.1 52.07 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 127.602 2.361 . . . . 0.0 105.568 171.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -127.2 152.45 47.35 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.662 1.119 . . . . 0.0 108.882 -177.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.1 p -148.26 165.65 30.35 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.967 0.907 . . . . 0.0 110.189 -177.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 49.0 mtm105 -136.37 47.4 2.2 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 105.953 -1.869 . . . . 0.0 105.953 176.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.7 m -134.66 36.96 3.11 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.401 -152.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.6 mp -24.17 109.88 0.03 OUTLIER 'General case' 0 C--O 1.235 0.327 0 C-N-CA 129.977 3.311 . . . . 0.0 112.79 -170.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -56.8 -33.31 66.56 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.505 1.122 . . . . 0.0 111.331 176.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 61.24 28.06 68.56 Favored Glycine 0 CA--C 1.532 1.129 0 C-N-CA 124.174 0.892 . . . . 0.0 111.95 -174.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -65.96 150.72 48.19 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.535 0.734 . . . . 0.0 110.254 -174.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -67.84 -30.22 69.55 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.37 0.508 . . . . 0.0 112.37 -174.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -159.34 -175.24 5.1 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 126.108 1.763 . . . . 0.0 107.906 -177.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -93.43 129.47 39.59 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 117.371 -1.3 . . . . 0.0 107.563 164.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.409 ' C ' HE22 ' A' ' 22' ' ' GLN . 27.1 m -132.57 143.85 49.99 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 120.113 1.324 . . . . 0.0 113.043 -170.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 8.9 mt -80.3 137.08 22.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 N-CA-C 105.577 -2.009 . . . . 0.0 105.577 168.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 47.5 t . . . . . 0 CA--C 1.534 0.341 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 -178.54 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 mmt . . . . . 0 N--CA 1.485 1.321 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 59.8 mt -137.18 177.06 8.16 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 125.232 1.413 . . . . 0.0 108.374 175.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -139.33 153.03 47.65 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 125.479 1.511 . . . . 0.0 108.05 175.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -141.18 166.29 25.19 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 122.796 0.438 . . . . 0.0 110.61 161.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.5 ttm-85 -121.75 139.34 53.71 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 105.73 -1.952 . . . . 0.0 105.73 163.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.3 mt -132.98 136.81 54.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 105.963 -1.866 . . . . 0.0 105.963 -177.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.1 mm -110.66 141.24 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 174.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.8 t -136.54 137.24 47.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 -175.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -139.18 152.23 47.22 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 125.141 1.376 . . . . 0.0 108.68 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 138.91 -156.39 24.29 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 -174.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -74.2 77.26 1.79 Allowed 'General case' 0 C--O 1.232 0.157 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 167.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.7 m -134.82 -0.31 1.14 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 124.468 1.107 . . . . 0.0 111.387 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -124.58 -23.93 4.3 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.991 0.916 . . . . 0.0 111.849 -174.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.17 5.38 77.0 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 123.593 0.616 . . . . 0.0 111.972 166.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.9 m -142.91 161.91 17.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 C-N-CA 127.023 2.129 . . . . 0.0 107.424 -176.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.47 41.46 2.68 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 124.63 1.11 . . . . 0.0 113.627 -171.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -52.65 -37.81 59.22 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 118.872 1.336 . . . . 0.0 112.19 -174.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.4 mtm-85 -53.83 -37.16 63.3 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.519 0.728 . . . . 0.0 111.805 177.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -69.49 -43.2 73.65 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 119.255 0.934 . . . . 0.0 110.709 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -59.87 -46.26 89.88 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-N 118.716 0.689 . . . . 0.0 110.103 177.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.4 t -59.29 -43.74 90.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 123.063 0.545 . . . . 0.0 109.938 175.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -56.14 -47.71 77.65 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 118.717 0.69 . . . . 0.0 110.689 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 36.7 mmt -74.05 -36.24 64.35 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 122.456 0.302 . . . . 0.0 110.626 -173.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -68.96 -30.43 68.87 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.463 0.574 . . . . 0.0 111.656 176.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.42 -43.76 63.39 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 118.975 0.807 . . . . 0.0 110.369 172.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -64.73 -40.93 96.16 Favored 'General case' 0 C--O 1.229 0.021 0 C-N-CA 123.821 0.848 . . . . 0.0 111.565 -176.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -15.82 63.94 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.171 0.896 . . . . 0.0 112.547 176.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.7 mmm-85 -100.8 0.14 38.16 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.02 0.928 . . . . 0.0 111.917 170.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt 42.3 43.43 2.96 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.279 1.832 . . . . 0.0 112.136 -169.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.58 166.83 14.15 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 164.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -132.51 152.22 51.64 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 123.957 0.903 . . . . 0.0 108.922 175.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 137.88 -153.49 22.23 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.652 -0.579 . . . . 0.0 111.652 -169.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.0 p90 -138.47 163.75 31.14 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 117.945 0.872 . . . . 0.0 112.446 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.3 p -128.1 143.24 41.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 154.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -153.19 161.6 42.25 Favored 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 123.094 0.558 . . . . 0.0 111.97 -176.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.4 t30 . . . . . 0 C--O 1.234 0.241 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 156.865 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? . . . . . 0 C--O 1.234 0.252 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.0 t -95.62 144.76 9.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 105.619 -1.993 . . . . 0.0 105.619 166.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -123.11 137.7 54.85 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 106.944 -1.502 . . . . 0.0 106.944 172.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.6 mt -119.92 142.07 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.675 0 N-CA-C 104.213 -2.514 . . . . 0.0 104.213 173.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.7 tt -142.95 121.92 12.8 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 104.97 -2.233 . . . . 0.0 104.97 173.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -138.76 148.38 43.79 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.039 0.535 . . . . 0.0 109.805 -175.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -124.39 153.25 42.16 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 125.525 1.53 . . . . 0.0 108.78 169.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.67 -170.21 36.55 Favored Glycine 0 CA--C 1.528 0.903 0 CA-C-O 119.758 -0.468 . . . . 0.0 112.543 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -56.48 149.32 57.77 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 124.022 3.148 . . . . 0.0 111.639 170.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -59.71 -44.57 93.64 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.1 0.56 . . . . 0.0 110.869 -179.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -62.64 -42.8 99.8 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 118.507 0.594 . . . . 0.0 111.275 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.32 -45.34 88.32 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 122.685 0.394 . . . . 0.0 110.084 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.0 mt -62.81 -47.12 84.82 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.378 0.671 . . . . 0.0 110.571 178.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -61.22 -45.32 95.06 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.287 0.949 . . . . 0.0 110.552 179.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.6 m -59.7 -36.66 76.96 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.585 0.354 . . . . 0.0 110.723 176.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -71.58 -32.15 67.75 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 117.807 -1.092 . . . . 0.0 111.411 178.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.2 t -62.46 -44.67 99.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-N 120.944 1.702 . . . . 0.0 109.153 168.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -61.0 -35.06 75.85 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 118.53 0.604 . . . . 0.0 111.193 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.49 -53.98 34.84 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.994 0.518 . . . . 0.0 110.709 171.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 38.3 t -60.52 -42.93 93.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 124.146 0.979 . . . . 0.0 111.03 -174.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -67.03 -14.47 62.93 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.188 0.903 . . . . 0.0 112.852 -177.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -64.15 -27.83 69.35 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 119.469 1.031 . . . . 0.0 111.178 170.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.83 -128.65 8.97 Favored Glycine 0 C--N 1.336 0.537 0 N-CA-C 105.461 -3.055 . . . . 0.0 105.461 -151.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 68.0 m -154.32 169.23 10.4 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 172.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_exo -47.49 -22.69 2.92 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 123.591 2.861 . . . . 0.0 115.071 170.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -134.74 32.91 3.24 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.187 1.395 . . . . 0.0 111.105 176.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.7 m -151.34 150.84 30.96 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 120.321 -1.487 . . . . 0.0 110.151 172.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -133.97 103.23 5.73 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 -177.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.5 p -61.63 138.12 22.68 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 161.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.8 p -123.77 -13.73 7.37 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.24 1.016 . . . . 0.0 110.798 170.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -151.45 144.15 24.36 Favored 'General case' 0 C--N 1.342 0.241 0 C-N-CA 124.605 1.162 . . . . 0.0 109.271 171.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 19.2 tt -143.57 146.33 21.3 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 125.2 1.4 . . . . 0.0 108.32 -176.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.9 m -139.11 151.65 46.86 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 125.516 1.526 . . . . 0.0 108.33 177.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 50.3 t -140.82 145.47 25.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 124.267 1.027 . . . . 0.0 109.059 -172.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.3 m -134.96 129.74 34.7 Favored 'General case' 0 CA--C 1.528 0.127 0 N-CA-C 105.805 -1.924 . . . . 0.0 105.805 160.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.09 149.09 26.14 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 172.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.78 137.35 25.04 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 -163.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.5 51.2 2.05 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 174.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.8 m -143.43 82.7 1.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 125.023 1.329 . . . . 0.0 108.092 -158.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.0 mp -62.78 145.86 53.89 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.21 0.604 . . . . 0.0 109.885 -179.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -84.81 -24.89 28.47 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.703 1.201 . . . . 0.0 110.831 171.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 64.54 29.31 74.8 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 123.911 0.767 . . . . 0.0 112.629 -177.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.77 168.85 17.94 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.011 0.905 . . . . 0.0 109.696 171.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 58.9 m80 -125.99 0.55 7.26 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.172 0.989 . . . . 0.0 112.211 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -150.08 168.94 22.45 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 125.481 1.512 . . . . 0.0 108.435 172.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -91.78 148.29 22.35 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 162.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.1 m -137.95 159.2 42.64 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 118.993 0.815 . . . . 0.0 111.79 -172.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 24.3 mt -104.34 134.15 46.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 104.359 -2.46 . . . . 0.0 104.359 166.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 52.0 t . . . . . 0 CA--C 1.533 0.289 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 -175.613 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.9 mtt . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 121.095 0.474 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 63.9 tp -135.17 166.74 22.39 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.33 1.852 . . . . 0.0 107.591 -173.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -139.05 151.59 46.89 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 124.643 1.177 . . . . 0.0 108.429 177.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -141.23 167.18 22.81 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.356 0.598 . . . . 0.0 110.988 165.098 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.7 ttt180 -126.91 134.67 50.4 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 105.42 -2.067 . . . . 0.0 105.42 168.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.4 mt -132.81 141.84 43.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 106.487 -1.671 . . . . 0.0 106.487 -176.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.6 mm -122.01 142.55 37.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 105.527 -2.027 . . . . 0.0 105.527 174.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.1 t -131.2 121.56 49.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 -177.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -99.61 135.85 40.42 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 126.166 1.786 . . . . 0.0 107.093 174.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.49 -174.28 38.86 Favored Glycine 0 C--N 1.334 0.447 0 CA-C-N 118.434 0.561 . . . . 0.0 113.003 -179.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -70.17 100.89 1.75 Allowed 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 104.979 -2.23 . . . . 0.0 104.979 153.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.3 m -141.89 -29.01 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -178.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -79.58 -51.84 8.77 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 120.803 -1.186 . . . . 0.0 111.207 -170.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.76 -32.07 70.42 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.82 -0.512 . . . . 0.0 111.82 -175.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.2 m -73.66 -6.68 8.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 124.581 1.152 . . . . 0.0 112.182 174.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.65 35.29 62.52 Favored Glycine 0 C--N 1.34 0.778 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.259 174.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -49.68 -39.32 36.2 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 118.48 1.14 . . . . 0.0 111.6 -179.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.2 ptt-85 -50.21 -33.62 20.05 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 177.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -72.38 -41.0 66.82 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 119.9 1.227 . . . . 0.0 110.149 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -61.18 -46.58 89.89 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 174.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.4 t -57.83 -43.96 85.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 123.295 0.638 . . . . 0.0 109.893 176.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -56.8 -49.94 73.84 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-N 118.612 0.642 . . . . 0.0 110.393 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 64.9 mtt -70.38 -37.96 74.65 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.735 -0.212 . . . . 0.0 110.509 -174.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -68.94 -32.75 72.58 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.213 0.46 . . . . 0.0 111.618 178.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.6 -45.07 69.44 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 118.836 0.744 . . . . 0.0 110.33 172.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -64.22 -45.48 88.04 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 123.836 0.855 . . . . 0.0 111.329 -175.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -21.39 66.54 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 118.558 0.617 . . . . 0.0 112.213 177.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.0 tpt85 -100.33 8.78 43.46 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.212 1.005 . . . . 0.0 111.388 176.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.4 mttt 49.01 35.07 6.25 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.741 2.016 . . . . 0.0 113.155 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.7 mt -73.4 165.42 25.11 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 170.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -134.09 148.11 50.97 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.196 0.998 . . . . 0.0 109.155 176.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 139.17 -151.46 21.82 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 -168.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 16.6 p90 -142.38 166.34 24.94 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 118.148 0.974 . . . . 0.0 112.995 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.1 p -129.17 147.17 33.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 159.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -147.7 155.73 42.04 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.813 0.845 . . . . 0.0 111.073 -177.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 . . . . . 0 C--O 1.237 0.433 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 161.736 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 . . . . . 0 C--O 1.237 0.414 0 CA-C-O 122.153 0.978 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.1 t -116.55 148.83 19.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 105.067 -2.197 . . . . 0.0 105.067 162.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -131.87 140.72 49.19 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 -177.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.5 mt -135.03 140.28 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 N-CA-C 104.417 -2.438 . . . . 0.0 104.417 -169.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.9 tt -145.47 119.82 9.61 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 105.156 -2.165 . . . . 0.0 105.156 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -140.85 146.74 37.93 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 122.867 0.467 . . . . 0.0 110.311 -170.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -123.94 142.06 51.48 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 127.497 2.319 . . . . 0.0 106.898 176.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 171.27 -171.75 44.12 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.764 -0.534 . . . . 0.0 111.764 176.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -69.31 151.03 71.64 Favored 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 122.31 2.007 . . . . 0.0 109.726 169.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -59.42 -38.57 80.98 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.407 0.683 . . . . 0.0 111.522 -173.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -63.9 -43.88 94.67 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.075 0.852 . . . . 0.0 111.69 -178.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.0 -44.52 92.41 Favored 'General case' 0 C--N 1.339 0.126 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 176.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.1 mt -62.28 -45.48 93.07 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 118.868 -0.587 . . . . 0.0 110.843 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -63.86 -43.65 95.47 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 119.754 1.161 . . . . 0.0 110.713 178.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.6 m -57.57 -39.59 77.08 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.201 0.524 . . . . 0.0 110.383 174.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -70.33 -31.34 68.6 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 117.249 -1.358 . . . . 0.0 111.577 178.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.3 t -62.3 -45.22 99.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 121.448 1.931 . . . . 0.0 108.828 168.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -60.85 -35.72 77.3 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.732 0.696 . . . . 0.0 111.061 -179.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.28 -51.72 54.61 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.204 0.457 . . . . 0.0 111.345 171.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.1 t -63.47 -42.64 96.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 124.342 1.057 . . . . 0.0 111.106 -172.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -64.08 -18.83 64.76 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 119.288 0.949 . . . . 0.0 112.835 -175.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -67.42 -27.43 67.06 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.651 0.659 . . . . 0.0 111.77 173.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.22 -172.9 33.31 Favored Glycine 0 CA--C 1.534 1.264 0 N-CA-C 109.295 -1.522 . . . . 0.0 109.295 -154.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 80.1 p -67.42 162.16 58.56 Favored Pre-proline 0 CA--C 1.539 0.551 0 O-C-N 120.766 -1.432 . . . . 0.0 108.251 160.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.3 -2.39 1.3 Allowed 'Trans proline' 0 CA--C 1.546 1.084 0 C-N-CA 123.163 2.575 . . . . 0.0 114.546 167.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -113.84 -11.51 12.85 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.98 1.312 . . . . 0.0 111.675 174.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.6 m -72.99 171.16 13.35 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.79 0.836 . . . . 0.0 111.335 177.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -139.08 94.52 2.82 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 105.467 -2.049 . . . . 0.0 105.467 165.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.4 t -64.96 133.5 30.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 172.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.2 p -116.82 -20.32 9.51 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.803 1.241 . . . . 0.0 111.01 176.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -159.08 160.78 36.15 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 119.29 0.95 . . . . 0.0 109.429 164.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.8 tt -142.92 145.87 22.45 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 C-N-CA 125.365 1.466 . . . . 0.0 108.042 177.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.5 m -138.0 146.75 43.48 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 125.494 1.518 . . . . 0.0 108.186 -174.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.1 t -140.77 145.41 25.52 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 C-N-CA 124.144 0.978 . . . . 0.0 109.107 -172.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.3 m -132.97 139.27 47.2 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 105.62 -1.992 . . . . 0.0 105.62 162.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -119.26 142.02 48.44 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.71 134.0 20.63 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 -164.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 97.1 mtt-85 -86.44 53.99 3.0 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 168.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.8 m -138.18 96.17 3.14 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 -165.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.31 144.78 49.83 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -173.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -87.0 -19.63 28.42 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.705 1.202 . . . . 0.0 110.722 169.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 65.12 16.26 61.91 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.461 1.029 . . . . 0.0 112.903 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -72.32 162.97 28.74 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.119 0.968 . . . . 0.0 110.174 178.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -131.64 9.93 4.69 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.491 1.116 . . . . 0.0 111.451 -179.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -148.37 165.24 31.67 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 125.283 1.433 . . . . 0.0 108.114 174.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -96.45 150.75 20.26 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 162.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 55.0 m -137.53 161.35 36.62 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.648 0.779 . . . . 0.0 111.621 -175.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 30.5 mt -109.66 136.52 45.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 N-CA-C 105.114 -2.18 . . . . 0.0 105.114 166.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 95.5 t . . . . . 0 CA--C 1.537 0.463 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 -172.963 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 80.7 mmm . . . . . 0 N--CA 1.482 1.128 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 62.2 tp -150.8 166.64 29.89 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.163 1.385 . . . . 0.0 108.394 -169.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -137.04 151.73 49.27 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.856 1.263 . . . . 0.0 107.962 176.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -140.57 164.28 30.59 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.134 0.493 . . . . 0.0 110.699 161.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.4 ttm-85 -115.11 140.29 49.19 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 105.554 -2.017 . . . . 0.0 105.554 160.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.8 mt -131.65 137.33 55.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 23.0 mm -113.57 141.6 28.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 105.358 -2.09 . . . . 0.0 105.358 175.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.7 t -136.82 139.62 44.41 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 -177.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -141.02 153.67 45.64 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 125.092 1.357 . . . . 0.0 109.657 -174.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.75 -156.34 22.06 Favored Glycine 0 CA--C 1.523 0.575 0 C-N-CA 125.586 1.565 . . . . 0.0 109.442 -175.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.5 ttt85 -72.1 83.6 0.99 Allowed 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 162.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.6 m -135.87 9.63 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 123.301 0.64 . . . . 0.0 112.235 -173.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -133.28 152.68 51.94 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 169.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.18 18.56 79.29 Favored Glycine 0 CA--C 1.535 1.288 0 CA-C-O 119.582 -0.565 . . . . 0.0 112.765 -171.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.2 m -137.08 23.59 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 C-N-CA 125.39 1.476 . . . . 0.0 110.89 -172.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 70.87 5.26 57.19 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 124.319 0.961 . . . . 0.0 114.161 175.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -61.83 -36.15 80.33 Favored 'General case' 0 C--N 1.339 0.118 0 CA-C-N 119.04 1.42 . . . . 0.0 112.531 -168.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -58.7 -40.39 83.51 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.55 1.068 . . . . 0.0 110.962 177.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -72.2 -37.56 69.24 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-O 118.913 -0.565 . . . . 0.0 110.616 177.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -57.41 -51.84 67.78 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.997 0.817 . . . . 0.0 109.728 175.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.2 t -58.76 -42.7 86.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 123.969 0.908 . . . . 0.0 109.671 177.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.402 HE22 ' C ' ' A' ' 87' ' ' SER . 1.2 tp-100 -56.73 -50.33 72.53 Favored 'General case' 0 C--N 1.342 0.252 0 CA-C-N 119.007 0.821 . . . . 0.0 111.097 179.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.0 mmt -73.62 -36.23 65.43 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 -172.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -68.59 -30.49 69.25 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 119.029 -0.51 . . . . 0.0 111.57 176.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.37 -43.88 63.35 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 118.955 0.798 . . . . 0.0 110.631 172.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -65.3 -45.48 84.2 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 123.917 0.887 . . . . 0.0 111.352 -175.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -14.94 54.76 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 118.535 0.607 . . . . 0.0 112.602 176.019 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.8 tpt85 -110.94 12.35 22.19 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.833 1.253 . . . . 0.0 111.071 178.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt 51.24 31.7 7.21 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.526 1.93 . . . . 0.0 113.236 176.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.9 mt -76.08 167.36 22.01 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.716 -0.615 . . . . 0.0 109.786 174.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.51 152.78 50.9 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 124.58 1.152 . . . . 0.0 109.019 171.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 141.28 -155.93 25.4 Favored Glycine 0 CA--C 1.532 1.108 0 CA-C-O 119.415 -0.658 . . . . 0.0 111.616 -166.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.7 p90 -140.19 164.07 31.04 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 118.544 1.172 . . . . 0.0 113.135 -177.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.7 p -132.92 137.91 52.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 C-N-CA 124.028 0.931 . . . . 0.0 108.799 159.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -161.62 174.58 13.11 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.839 1.256 . . . . 0.0 111.545 -173.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 44.6 t30 . . . . . 0 CA--C 1.537 0.462 0 O-C-N 121.634 -0.666 . . . . 0.0 110.226 164.466 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? . . . . . 0 C--O 1.233 0.197 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.9 t -92.4 146.29 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 168.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -125.92 135.6 52.08 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 174.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.5 mt -124.31 142.14 42.11 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 N-CA-C 103.865 -2.643 . . . . 0.0 103.865 176.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.8 tt -143.82 123.73 13.51 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 105.194 -2.15 . . . . 0.0 105.194 176.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -142.96 148.93 37.67 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 118.614 0.643 . . . . 0.0 110.601 -173.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -127.06 143.66 51.23 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 126.674 1.99 . . . . 0.0 107.983 177.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 170.93 -171.68 43.97 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 123.725 0.678 . . . . 0.0 111.549 175.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -54.9 145.18 63.59 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 123.042 2.495 . . . . 0.0 110.777 166.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -59.17 -40.7 86.45 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 122.076 -0.39 . . . . 0.0 110.941 -177.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -64.36 -43.65 93.87 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 121.821 -0.549 . . . . 0.0 111.208 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.13 -44.44 94.93 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 123.104 0.562 . . . . 0.0 110.255 176.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.9 mt -64.17 -38.73 92.11 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 118.225 -0.893 . . . . 0.0 111.121 177.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -63.22 -45.55 91.12 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 120.293 1.406 . . . . 0.0 110.913 176.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.1 m -56.07 -38.51 70.74 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.703 0.683 . . . . 0.0 110.646 173.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -71.52 -31.46 67.08 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-O 117.405 -1.283 . . . . 0.0 111.928 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.9 t -63.65 -44.23 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 121.438 1.927 . . . . 0.0 108.599 169.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -60.41 -34.09 73.44 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.776 0.716 . . . . 0.0 111.393 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.23 -54.47 17.49 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.076 0.551 . . . . 0.0 111.219 171.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 28.8 t -61.67 -41.57 90.93 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 C-N-CA 124.346 1.058 . . . . 0.0 110.675 -172.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -64.58 -15.48 61.13 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -177.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -69.88 -27.5 64.86 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 119.244 0.929 . . . . 0.0 111.813 172.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.73 -175.38 30.67 Favored Glycine 0 CA--C 1.536 1.37 0 N-CA-C 109.413 -1.475 . . . . 0.0 109.413 -154.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.6 p -68.84 162.16 66.2 Favored Pre-proline 0 CA--C 1.538 0.502 0 O-C-N 120.896 -1.355 . . . . 0.0 108.524 163.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -48.73 -12.47 0.2 Allowed 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 124.315 3.343 . . . . 0.0 115.782 161.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -113.82 -7.07 13.24 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.992 1.317 . . . . 0.0 111.784 -178.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.2 m -81.03 171.68 14.67 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.687 1.195 . . . . 0.0 111.604 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -139.86 88.65 2.25 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 105.444 -2.058 . . . . 0.0 105.444 155.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.1 p -59.78 136.02 23.8 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 165.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.4 p -119.97 -16.55 8.62 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.358 1.063 . . . . 0.0 110.798 177.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -154.51 146.44 23.52 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 124.139 0.976 . . . . 0.0 109.612 174.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.2 tt -145.69 145.45 20.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 C-N-CA 125.873 1.669 . . . . 0.0 107.9 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.8 m -140.2 150.56 44.31 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 125.724 1.61 . . . . 0.0 108.523 -176.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.5 t -138.8 143.2 32.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 C-N-CA 124.308 1.043 . . . . 0.0 108.726 -171.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.2 m -139.09 112.15 7.97 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 106.581 -1.636 . . . . 0.0 106.581 172.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -75.2 157.01 35.21 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 121.758 -0.589 . . . . 0.0 109.588 171.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.9 m -162.79 175.31 11.41 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.055 1.742 . . . . 0.0 109.178 178.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -127.91 25.58 5.93 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.074 0.949 . . . . 0.0 110.476 174.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.6 m -86.12 74.77 10.01 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 176.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 26.5 mt -63.67 124.78 22.3 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.383 -160.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -78.17 65.91 3.65 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.456 1.502 . . . . 0.0 108.353 165.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -69.31 12.26 1.32 Allowed Glycine 0 CA--C 1.537 1.464 0 C-N-CA 125.471 1.51 . . . . 0.0 113.447 175.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -52.75 159.76 1.04 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.121 1.768 . . . . 0.0 112.178 170.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 -69.49 -27.49 65.26 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.807 0.843 . . . . 0.0 113.268 -172.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -147.15 167.29 24.52 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 118.985 0.811 . . . . 0.0 111.449 -170.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -86.32 148.3 25.67 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 162.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.402 ' C ' HE22 ' A' ' 22' ' ' GLN . 50.2 m -138.58 158.7 43.76 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.072 0.851 . . . . 0.0 112.004 -170.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.4 mt -105.39 143.83 15.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 105.238 -2.134 . . . . 0.0 105.238 169.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.328 -0.331 0 N-CA-C 103.836 -2.653 . . . . 0.0 103.836 161.491 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.485 1.287 0 CA-C-O 120.962 0.41 . . . . 0.0 110.112 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 25.1 tp -134.82 176.45 8.64 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 126.026 1.73 . . . . 0.0 107.441 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -145.62 157.88 43.92 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.953 1.301 . . . . 0.0 108.548 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -146.12 168.85 19.95 Favored 'General case' 0 C--O 1.235 0.338 0 O-C-N 121.768 -0.582 . . . . 0.0 110.429 162.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -125.43 138.04 54.01 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 105.553 -2.017 . . . . 0.0 105.553 165.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.8 mt -133.63 138.5 50.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 106.284 -1.747 . . . . 0.0 106.284 -174.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.6 mm -116.2 139.66 41.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 105.23 -2.137 . . . . 0.0 105.23 173.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.6 t -132.55 136.11 56.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 -176.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -135.04 147.87 49.75 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 125.116 1.366 . . . . 0.0 108.668 -172.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.78 -156.82 22.68 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 -175.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -73.93 88.96 1.86 Allowed 'General case' 0 C--O 1.23 0.072 0 N-CA-C 106.83 -1.545 . . . . 0.0 106.83 165.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.6 m -130.48 11.26 2.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 124.74 1.216 . . . . 0.0 110.588 175.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -131.2 161.3 32.51 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 126.39 1.876 . . . . 0.0 106.869 169.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 60.87 20.66 57.62 Favored Glycine 0 CA--C 1.535 1.323 0 O-C-N 121.682 -0.636 . . . . 0.0 111.659 -163.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.5 m -148.26 151.85 13.0 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 C-N-CA 128.887 2.875 . . . . 0.0 104.456 173.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.1 35.04 2.15 Favored Glycine 0 CA--C 1.529 0.921 0 CA-C-O 119.315 -0.714 . . . . 0.0 113.674 -170.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -58.84 -37.74 77.13 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.85 1.325 . . . . 0.0 112.671 -169.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.9 mtm-85 -58.32 -39.7 80.13 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.136 0.88 . . . . 0.0 110.921 176.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -71.11 -38.89 72.34 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 118.572 0.624 . . . . 0.0 110.592 176.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -56.91 -52.64 64.36 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 119.104 0.865 . . . . 0.0 109.855 175.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.6 t -58.68 -41.58 82.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 123.732 0.813 . . . . 0.0 109.717 177.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -56.85 -50.62 71.88 Favored 'General case' 0 C--N 1.339 0.128 0 CA-C-N 118.729 0.695 . . . . 0.0 110.897 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 76.6 mtm -71.29 -36.69 71.76 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 119.457 -0.306 . . . . 0.0 110.181 -174.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -67.91 -30.86 70.3 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 118.287 0.494 . . . . 0.0 111.85 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.4 -43.02 61.39 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 118.912 0.778 . . . . 0.0 110.682 172.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -65.93 -44.48 85.0 Favored 'General case' 0 CA--C 1.527 0.075 0 C-N-CA 123.897 0.879 . . . . 0.0 111.302 -175.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -17.26 62.43 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 118.432 0.56 . . . . 0.0 112.349 175.288 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.6 tpt85 -105.82 8.43 32.78 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.731 1.213 . . . . 0.0 111.286 177.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp 49.16 33.61 5.14 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.89 2.076 . . . . 0.0 112.984 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.0 mt -75.59 166.09 24.1 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 121.772 -0.58 . . . . 0.0 109.741 173.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -132.57 149.03 52.38 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 124.354 1.061 . . . . 0.0 108.691 173.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 146.34 -162.42 28.42 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.531 -0.628 . . . . 0.0 111.531 -165.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 3.2 p90 -137.0 162.44 33.3 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 124.048 0.939 . . . . 0.0 112.144 177.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.3 p -131.21 142.08 44.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 158.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -153.79 155.13 35.27 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 124.124 0.969 . . . . 0.0 110.59 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.4 t30 . . . . . 0 CA--C 1.538 0.493 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 169.277 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 . . . . . 0 N--CA 1.47 0.528 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 76.4 t -120.39 146.03 25.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 166.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -120.48 138.19 53.95 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 125.461 1.504 . . . . 0.0 107.023 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.0 mt -128.91 140.99 47.78 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 N-CA-C 104.568 -2.382 . . . . 0.0 104.568 177.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.8 tt -143.28 124.67 14.7 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 105.118 -2.179 . . . . 0.0 105.118 176.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -142.54 151.34 41.51 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 118.527 0.603 . . . . 0.0 109.992 -174.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -129.28 155.03 46.24 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 125.453 1.501 . . . . 0.0 109.177 168.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.75 -170.1 36.58 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.336 -0.706 . . . . 0.0 111.336 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -54.11 141.07 70.15 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 123.271 2.647 . . . . 0.0 110.728 168.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -63.3 -30.01 71.23 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.93 -0.481 . . . . 0.0 111.809 -179.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -67.43 -47.6 69.74 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 121.379 -0.826 . . . . 0.0 110.612 176.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.82 -44.45 94.02 Favored 'General case' 0 C--O 1.23 0.077 0 C-N-CA 123.433 0.693 . . . . 0.0 110.295 177.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 43.0 mt -61.92 -42.92 99.65 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 118.592 -0.718 . . . . 0.0 111.011 178.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -62.91 -46.17 89.06 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 119.854 1.207 . . . . 0.0 111.021 178.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.9 m -58.16 -36.52 73.14 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.602 0.637 . . . . 0.0 111.154 174.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -69.76 -32.94 71.72 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 117.427 -1.273 . . . . 0.0 111.42 178.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.5 t -62.69 -44.09 99.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-N 121.355 1.889 . . . . 0.0 109.111 168.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -60.13 -35.03 74.37 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.121 0.873 . . . . 0.0 111.162 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.51 -52.57 37.45 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 122.973 0.509 . . . . 0.0 111.21 171.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.1 t -62.79 -43.03 98.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 124.296 1.039 . . . . 0.0 110.93 -173.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -65.53 -18.07 65.04 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 118.713 0.688 . . . . 0.0 112.695 -175.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -69.72 -25.23 63.75 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 118.828 0.74 . . . . 0.0 111.578 172.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.35 -178.97 21.49 Favored Glycine 0 CA--C 1.534 1.237 0 N-CA-C 109.406 -1.478 . . . . 0.0 109.406 -153.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.0 p -68.83 159.52 81.97 Favored Pre-proline 0 CA--C 1.536 0.416 0 O-C-N 120.866 -1.373 . . . . 0.0 107.711 159.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -47.49 -27.25 7.15 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 123.298 2.666 . . . . 0.0 114.305 164.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -84.36 -27.62 27.58 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.671 0.788 . . . . 0.0 111.999 177.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 55.6 m -71.82 169.24 16.18 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 123.807 0.843 . . . . 0.0 111.573 -176.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -138.67 84.4 2.02 Favored 'General case' 0 N--CA 1.457 -0.105 0 N-CA-C 105.882 -1.896 . . . . 0.0 105.882 161.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.1 p -59.56 135.61 23.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 N-CA-C 107.316 -1.364 . . . . 0.0 107.316 165.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.8 p -119.59 -17.64 8.62 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.629 1.172 . . . . 0.0 110.599 177.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -154.77 150.5 27.61 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.253 1.021 . . . . 0.0 109.459 172.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.3 tt -145.88 145.85 19.84 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 125.649 1.58 . . . . 0.0 107.912 -178.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.7 m -137.7 144.97 42.01 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 125.893 1.677 . . . . 0.0 108.002 -174.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.0 t -137.48 143.98 32.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 124.148 0.979 . . . . 0.0 108.554 -173.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 57.6 m -135.81 114.41 11.83 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 105.609 -1.997 . . . . 0.0 105.609 171.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -77.21 148.37 35.89 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 171.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.6 m -151.6 169.05 23.06 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.906 1.283 . . . . 0.0 109.971 -168.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -141.54 29.13 1.77 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.842 0.857 . . . . 0.0 109.409 164.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.1 m -87.27 60.01 5.88 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.065 1.746 . . . . 0.0 107.587 -176.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 36.0 mt -53.0 141.91 21.07 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 124.581 1.152 . . . . 0.0 111.476 -162.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.35 -19.73 13.18 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.802 1.641 . . . . 0.0 110.82 -173.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.21 16.03 78.7 Favored Glycine 0 CA--C 1.528 0.848 0 CA-C-O 118.689 -1.062 . . . . 0.0 114.897 154.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -68.67 163.69 23.27 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 119.322 1.561 . . . . 0.0 109.784 169.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 24.3 p-80 -103.9 -2.01 26.84 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.708 0.803 . . . . 0.0 112.455 -178.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.55 162.86 40.64 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 124.265 1.026 . . . . 0.0 109.76 178.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -79.73 157.82 27.06 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 176.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.44 149.33 46.79 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.368 0.667 . . . . 0.0 110.949 -167.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 35.8 mt -104.68 135.89 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 104.473 -2.417 . . . . 0.0 104.473 162.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 61.9 t . . . . . 0 CA--C 1.534 0.331 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 -179.426 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 mmt . . . . . 0 N--CA 1.487 1.378 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 48.1 mt -129.42 -179.4 5.13 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 125.095 1.358 . . . . 0.0 108.111 171.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -152.0 149.84 29.32 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 125.988 1.715 . . . . 0.0 107.399 -170.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -146.47 166.18 27.2 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.995 0.426 . . . . 0.0 110.754 164.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.6 ttm-85 -118.27 141.89 48.05 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 105.601 -2.0 . . . . 0.0 105.601 158.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.8 mt -130.82 145.21 35.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 105.824 -1.917 . . . . 0.0 105.824 -178.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 21.0 mm -122.44 140.81 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 105.156 -2.165 . . . . 0.0 105.156 175.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.1 t -136.85 143.67 34.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 N-CA-C 107.019 -1.474 . . . . 0.0 107.019 -173.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -143.46 152.15 41.18 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 124.796 1.238 . . . . 0.0 109.267 -177.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 138.0 -156.56 23.89 Favored Glycine 0 CA--C 1.525 0.658 0 C-N-CA 124.971 1.272 . . . . 0.0 110.067 -176.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.3 ttp-105 -73.56 87.03 1.61 Allowed 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 161.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.3 m -133.59 13.49 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 C-N-CA 124.053 0.941 . . . . 0.0 111.158 -177.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.3 mp0 -138.88 164.47 29.59 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 125.784 1.633 . . . . 0.0 107.429 168.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.86 -51.53 3.81 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 109.357 -1.497 . . . . 0.0 109.357 -170.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.2 m -59.09 148.19 7.13 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 154.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.19 37.62 2.19 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 124.19 0.9 . . . . 0.0 112.715 -175.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -59.23 -39.43 82.71 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-N 118.052 0.926 . . . . 0.0 112.326 -166.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -59.81 -32.5 70.7 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.491 1.041 . . . . 0.0 111.792 178.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -73.67 -39.34 64.51 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.775 0.716 . . . . 0.0 109.898 176.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -55.9 -52.67 63.28 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.692 0.678 . . . . 0.0 109.439 174.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.4 t -57.8 -43.41 84.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 124.009 0.924 . . . . 0.0 110.003 178.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -55.65 -48.9 74.23 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.847 0.749 . . . . 0.0 110.652 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 76.8 mtm -73.81 -34.61 64.68 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 119.442 -0.313 . . . . 0.0 111.005 -174.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -70.94 -30.34 66.62 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.986 0.812 . . . . 0.0 111.55 176.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.23 -45.42 69.84 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 119.17 0.895 . . . . 0.0 109.845 170.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -63.66 -39.34 94.08 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 123.584 0.754 . . . . 0.0 111.761 -177.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.11 -26.01 67.26 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 119.367 0.985 . . . . 0.0 111.584 177.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -90.55 -0.43 57.67 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.97 0.908 . . . . 0.0 112.344 171.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm 46.09 39.0 5.33 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.088 1.755 . . . . 0.0 112.541 -172.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.6 mt -73.02 165.73 24.46 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 167.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.03 149.05 48.64 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.207 1.003 . . . . 0.0 108.875 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 142.64 -146.82 18.01 Favored Glycine 0 CA--C 1.531 1.086 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -167.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.4 p90 -146.71 169.01 19.93 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.013 0.907 . . . . 0.0 113.281 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 p -130.46 144.0 39.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 160.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -151.79 151.36 31.26 Favored 'General case' 0 CA--C 1.519 -0.246 0 O-C-N 121.745 -0.597 . . . . 0.0 111.153 176.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 36.4 t30 . . . . . 0 CA--C 1.534 0.332 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 160.459 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.468 0.448 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 76.0 t -118.93 152.21 21.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 167.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -125.65 144.21 50.69 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 125.428 1.491 . . . . 0.0 107.617 177.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -120.54 147.96 24.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 N-CA-C 104.877 -2.268 . . . . 0.0 104.877 168.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.5 tt -144.1 126.68 16.0 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 105.239 -2.134 . . . . 0.0 105.239 168.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -142.76 156.13 44.95 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 118.483 0.583 . . . . 0.0 109.788 -178.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -135.23 155.05 51.31 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 125.677 1.591 . . . . 0.0 109.008 166.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 156.74 -166.72 33.48 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 123.626 0.631 . . . . 0.0 111.641 -178.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -57.22 143.19 94.14 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 123.687 2.925 . . . . 0.0 111.159 172.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -42.23 89.21 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 122.981 0.512 . . . . 0.0 112.115 -179.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -67.8 -38.07 82.82 Favored 'General case' 0 C--O 1.233 0.224 0 O-C-N 121.465 -0.772 . . . . 0.0 111.364 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.85 -44.08 90.91 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 122.761 0.424 . . . . 0.0 110.042 175.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.4 mt -61.84 -46.53 89.07 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.806 0.842 . . . . 0.0 110.513 177.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -61.42 -44.56 96.92 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 119.265 0.939 . . . . 0.0 110.622 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.1 m -58.7 -37.75 76.78 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 120.969 0.414 . . . . 0.0 110.688 176.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -70.66 -31.09 67.88 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 117.509 -1.234 . . . . 0.0 111.683 176.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.2 t -62.76 -44.31 99.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-N 121.289 1.859 . . . . 0.0 109.179 168.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -59.07 -37.97 78.34 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.051 0.841 . . . . 0.0 110.41 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.81 -51.18 58.65 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 122.791 0.436 . . . . 0.0 111.547 174.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 31.6 t -63.3 -44.69 99.25 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 124.219 1.008 . . . . 0.0 110.564 -175.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.9 pttt -65.68 -22.4 66.63 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.824 0.738 . . . . 0.0 112.408 -172.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -66.49 -27.95 68.19 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.265 0.484 . . . . 0.0 111.48 173.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.0 -177.74 38.13 Favored Glycine 0 CA--C 1.531 1.065 0 N-CA-C 109.354 -1.498 . . . . 0.0 109.354 -155.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 96.3 p -66.2 160.22 66.17 Favored Pre-proline 0 CA--C 1.539 0.522 0 O-C-N 121.084 -1.245 . . . . 0.0 108.022 158.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_exo -46.62 -26.33 4.28 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 123.439 2.759 . . . . 0.0 114.818 164.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -86.8 -26.69 23.97 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.636 0.774 . . . . 0.0 111.981 177.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.9 m -70.72 172.75 8.19 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.133 0.973 . . . . 0.0 111.373 -178.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -142.09 97.99 3.24 Favored 'General case' 0 CA--C 1.522 -0.097 0 N-CA-C 105.869 -1.9 . . . . 0.0 105.869 160.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 67.5 t -64.26 135.66 27.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 168.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.5 p -118.2 -18.97 9.19 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.994 0.918 . . . . 0.0 110.697 174.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -154.86 150.07 27.07 Favored 'General case' 0 C--N 1.341 0.22 0 C-N-CA 124.198 0.999 . . . . 0.0 109.301 172.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.0 tt -148.27 146.24 17.93 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 125.517 1.527 . . . . 0.0 107.975 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.6 m -139.86 149.76 43.81 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 126.003 1.721 . . . . 0.0 108.275 -176.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.4 t -138.39 144.37 30.49 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 124.17 0.988 . . . . 0.0 108.702 -172.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.1 m -134.91 103.96 5.79 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 105.781 -1.933 . . . . 0.0 105.781 170.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -74.43 149.53 40.37 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 170.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.3 m -148.75 163.84 36.15 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.335 1.454 . . . . 0.0 109.722 -171.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 60.5 ttp85 -144.06 47.77 1.41 Allowed 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.368 1.067 . . . . 0.0 108.697 176.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.0 m -134.65 59.62 1.73 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.961 2.104 . . . . 0.0 106.272 -172.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.5 mt -49.14 148.37 2.48 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 126.897 2.079 . . . . 0.0 113.705 -157.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -68.2 -40.09 82.27 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.405 1.082 . . . . 0.0 109.301 172.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 62.29 38.08 95.64 Favored Glycine 0 CA--C 1.533 1.198 0 N-CA-C 110.297 -1.121 . . . . 0.0 110.297 -166.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.55 166.28 22.14 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.728 1.211 . . . . 0.0 109.992 -178.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -129.53 3.75 5.07 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.046 0.939 . . . . 0.0 112.001 -178.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.9 ptt85 -154.21 157.5 38.88 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 125.612 1.565 . . . . 0.0 108.582 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -86.21 149.15 25.29 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 154.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 m -138.73 162.43 34.71 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 122.842 0.457 . . . . 0.0 111.168 -167.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 24.7 mt -118.3 139.53 45.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 N-CA-C 105.927 -1.879 . . . . 0.0 105.927 169.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.537 0.455 0 C-N-CA 124.382 1.073 . . . . 0.0 108.578 174.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.4 mmm . . . . . 0 N--CA 1.486 1.341 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 76.8 mt -142.16 -179.66 6.37 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 125.793 1.637 . . . . 0.0 108.308 176.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -136.86 154.79 50.4 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 125.343 1.457 . . . . 0.0 108.563 175.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -140.69 169.51 17.5 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.379 0.609 . . . . 0.0 110.805 157.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -132.98 133.46 43.18 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 105.104 -2.184 . . . . 0.0 105.104 170.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.9 mt -131.76 137.34 55.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 106.298 -1.742 . . . . 0.0 106.298 -172.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.4 mm -113.14 139.71 36.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 105.18 -2.156 . . . . 0.0 105.18 174.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.0 t -134.87 137.2 51.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 -178.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -132.04 151.17 51.91 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 125.219 1.408 . . . . 0.0 108.788 -174.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.38 -157.37 22.27 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 177.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.5 ttp-105 -72.98 87.97 1.36 Allowed 'General case' 0 C--O 1.23 0.067 0 N-CA-C 106.922 -1.511 . . . . 0.0 106.922 167.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.4 m -133.18 -31.42 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 124.051 0.94 . . . . 0.0 111.406 176.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -83.79 -39.11 20.43 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 120.774 -1.204 . . . . 0.0 110.933 -174.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.5 1.1 38.14 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 123.773 0.702 . . . . 0.0 113.46 178.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.5 m -130.82 10.83 2.0 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 C-N-CA 126.018 1.727 . . . . 0.0 110.947 -174.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.85 30.97 72.44 Favored Glycine 0 C--N 1.343 0.917 0 CA-C-O 119.262 -0.744 . . . . 0.0 113.673 169.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -53.58 -31.42 46.69 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 118.545 1.172 . . . . 0.0 112.794 -177.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -55.08 -37.49 66.86 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 119.136 0.88 . . . . 0.0 111.386 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -71.51 -39.6 70.68 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 118.624 0.647 . . . . 0.0 110.823 178.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -59.26 -49.57 77.33 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 118.751 0.705 . . . . 0.0 109.622 175.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.8 t -57.9 -42.85 83.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 C-N-CA 123.354 0.662 . . . . 0.0 109.898 175.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -56.94 -48.97 77.05 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 118.724 0.693 . . . . 0.0 110.849 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 95.7 mtp -71.22 -37.83 72.04 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 122.517 0.327 . . . . 0.0 110.218 -175.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -69.03 -30.32 68.66 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 119.166 -0.445 . . . . 0.0 111.683 177.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.31 -44.73 62.28 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 118.976 0.807 . . . . 0.0 110.12 172.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -63.88 -42.01 97.59 Favored 'General case' 0 C--O 1.23 0.058 0 C-N-CA 123.787 0.835 . . . . 0.0 111.522 -176.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -13.51 62.13 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.363 -0.835 . . . . 0.0 112.766 177.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -104.28 1.14 30.08 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.336 1.054 . . . . 0.0 111.771 170.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt 41.79 42.88 2.32 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.446 1.899 . . . . 0.0 112.397 -170.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.4 mt -69.42 165.56 20.57 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 166.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.5 141.8 43.49 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 123.405 0.682 . . . . 0.0 109.574 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 144.87 -154.37 25.83 Favored Glycine 0 CA--C 1.533 1.195 0 CA-C-O 119.771 -0.461 . . . . 0.0 112.34 -165.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.0 p90 -140.26 165.38 27.55 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 117.935 0.867 . . . . 0.0 112.931 -176.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.3 p -136.96 138.67 45.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 160.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -160.53 176.31 11.74 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.853 0.861 . . . . 0.0 111.422 -171.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 45.9 t30 . . . . . 0 N--CA 1.467 0.415 0 C-N-CA 123.329 0.652 . . . . 0.0 110.272 165.639 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 . . . . . 0 N--CA 1.469 0.522 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.4 t -95.82 146.66 6.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 106.006 -1.849 . . . . 0.0 106.006 166.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -127.93 139.7 52.43 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 175.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.0 mt -129.53 142.23 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 N-CA-C 104.682 -2.34 . . . . 0.0 104.682 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.1 tt -143.98 129.46 19.02 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 105.589 -2.004 . . . . 0.0 105.589 177.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.1 143.8 31.3 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 118.318 0.508 . . . . 0.0 109.967 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -99.67 154.05 18.6 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 156.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 173.55 177.77 43.02 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-O 119.823 -0.432 . . . . 0.0 112.732 177.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -72.54 153.75 54.98 Favored 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 122.853 2.369 . . . . 0.0 109.685 167.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -58.83 -42.99 90.57 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.342 0.657 . . . . 0.0 111.781 -170.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -64.24 -42.31 96.58 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 118.629 0.65 . . . . 0.0 111.499 -176.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.24 -43.53 86.31 Favored 'General case' 0 N--CA 1.457 -0.091 0 N-CA-C 110.108 -0.331 . . . . 0.0 110.108 177.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 46.7 mt -61.51 -46.7 88.85 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.001 0.52 . . . . 0.0 110.463 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -63.16 -44.62 94.99 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 119.569 1.077 . . . . 0.0 110.971 178.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.3 m -58.26 -39.46 79.23 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 121.228 0.537 . . . . 0.0 110.548 175.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -69.7 -31.56 69.66 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-O 116.989 -1.482 . . . . 0.0 111.234 178.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 38.2 t -62.02 -47.43 93.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 121.571 1.987 . . . . 0.0 108.669 167.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -59.07 -35.15 72.88 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.763 0.711 . . . . 0.0 110.81 -176.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.79 -56.48 9.03 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.243 0.617 . . . . 0.0 111.763 170.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.7 t -57.69 -46.62 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 C-N-CA 125.048 1.339 . . . . 0.0 111.017 -172.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.4 pptp? -64.59 -18.2 64.67 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -174.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -68.0 -27.78 66.86 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.888 0.767 . . . . 0.0 111.713 172.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.68 -174.17 39.75 Favored Glycine 0 CA--C 1.534 1.256 0 N-CA-C 109.41 -1.476 . . . . 0.0 109.41 -154.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.7 m -63.55 158.4 59.22 Favored Pre-proline 0 CA--C 1.539 0.547 0 O-C-N 121.164 -1.198 . . . . 0.0 108.011 158.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_exo -46.83 -33.57 14.35 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.267 2.645 . . . . 0.0 114.202 165.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -79.28 -17.82 53.92 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.166 0.987 . . . . 0.0 113.271 178.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.3 m -73.95 171.25 13.8 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.881 0.872 . . . . 0.0 112.84 -173.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 54.1 tttp -137.6 96.91 3.33 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 105.24 -2.133 . . . . 0.0 105.24 161.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 66.8 t -64.63 134.04 29.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 168.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.8 p -117.19 -19.62 9.58 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.008 0.923 . . . . 0.0 110.813 177.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -155.49 151.0 27.19 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 124.631 1.172 . . . . 0.0 108.742 169.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 12.7 tt -142.88 142.16 26.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 125.502 1.521 . . . . 0.0 107.174 174.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 66.7 m -136.71 150.81 48.64 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 125.73 1.612 . . . . 0.0 108.386 -178.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.2 t -140.65 145.54 25.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 124.127 0.971 . . . . 0.0 108.883 -169.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.2 m -131.09 137.12 48.96 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 164.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -119.91 144.01 47.66 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 54.4 m -147.3 157.33 43.55 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.946 0.898 . . . . 0.0 110.344 -163.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -122.69 53.0 1.29 Allowed 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.289 1.436 . . . . 0.0 107.185 176.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.3 m -139.97 130.42 25.48 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 105.182 -2.155 . . . . 0.0 105.182 -178.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -87.44 168.23 13.29 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -174.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -117.4 -14.63 10.36 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.118 1.367 . . . . 0.0 111.243 -171.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 71.42 2.96 51.97 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 124.919 1.247 . . . . 0.0 113.147 173.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -72.3 153.57 41.45 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.024 0.93 . . . . 0.0 108.977 176.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -129.47 13.9 6.03 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.576 1.151 . . . . 0.0 110.576 176.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.56 167.06 30.1 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 126.341 1.856 . . . . 0.0 107.485 177.204 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -102.7 152.03 21.69 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 169.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.5 m -134.38 151.84 51.44 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 123.426 0.69 . . . . 0.0 111.998 -177.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 38.4 mt -97.59 146.78 7.23 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 104.873 -2.269 . . . . 0.0 104.873 159.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 C--O 1.235 0.312 0 N-CA-C 105.448 -2.056 . . . . 0.0 105.448 160.907 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 mmt . . . . . 0 N--CA 1.486 1.329 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 46.0 mt -135.92 175.27 9.75 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 124.772 1.229 . . . . 0.0 108.189 172.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -136.72 150.47 48.45 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 125.761 1.624 . . . . 0.0 107.851 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -138.65 168.21 20.28 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.483 0.658 . . . . 0.0 110.356 166.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -131.04 136.52 48.54 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 105.261 -2.126 . . . . 0.0 105.261 166.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.7 mt -132.06 136.68 56.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.0 mm -113.22 139.24 39.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 105.133 -2.173 . . . . 0.0 105.133 175.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.5 t -135.62 139.84 45.65 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 -174.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -142.39 154.11 44.34 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 125.302 1.441 . . . . 0.0 109.569 -174.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.01 -153.79 21.08 Favored Glycine 0 CA--C 1.522 0.512 0 C-N-CA 125.484 1.516 . . . . 0.0 109.497 -175.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -73.62 79.66 1.5 Allowed 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 163.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.2 m -131.57 7.8 1.79 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 123.453 0.701 . . . . 0.0 111.906 -172.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -132.16 153.19 50.79 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 168.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.82 18.81 79.68 Favored Glycine 0 CA--C 1.537 1.407 0 CA-C-O 119.706 -0.497 . . . . 0.0 112.586 -169.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 m -137.45 19.71 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 125.652 1.581 . . . . 0.0 110.967 -173.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.55 12.11 60.95 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 124.324 0.964 . . . . 0.0 114.196 176.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -61.17 -39.19 89.19 Favored 'General case' 0 C--N 1.339 0.138 0 CA-C-N 118.838 1.319 . . . . 0.0 112.419 -166.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 90.0 mtm-85 -62.04 -33.76 74.97 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.892 1.224 . . . . 0.0 111.855 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -70.21 -39.59 75.07 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 118.95 0.796 . . . . 0.0 110.358 174.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -57.51 -51.28 70.11 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.732 0.696 . . . . 0.0 109.854 175.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.6 t -57.86 -43.16 83.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 123.729 0.811 . . . . 0.0 109.719 176.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -58.3 -49.56 76.71 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 118.79 0.723 . . . . 0.0 110.996 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.5 mtt -72.38 -36.58 68.74 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 -174.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -68.9 -30.36 68.83 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 118.947 -0.549 . . . . 0.0 111.618 177.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.07 -43.56 64.67 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 119.068 0.849 . . . . 0.0 110.319 171.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -66.31 -43.92 84.9 Favored 'General case' 0 N--CA 1.461 0.092 0 C-N-CA 123.685 0.794 . . . . 0.0 111.654 -175.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.35 -16.12 59.46 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.906 0.776 . . . . 0.0 112.397 176.101 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.9 tpt85 -108.71 5.21 24.58 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.961 1.304 . . . . 0.0 111.122 177.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt 39.37 44.46 1.09 Allowed 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 127.729 2.412 . . . . 0.0 113.224 -174.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.1 mt -72.89 165.82 24.19 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 165.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.23 151.31 50.88 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 124.292 1.037 . . . . 0.0 109.289 175.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 140.69 -154.44 24.27 Favored Glycine 0 CA--C 1.531 1.045 0 CA-C-N 118.092 0.405 . . . . 0.0 112.439 -171.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.8 p90 -138.65 163.89 30.94 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.069 0.947 . . . . 0.0 112.513 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.4 p -130.99 140.27 49.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 N-CA-C 107.481 -1.304 . . . . 0.0 107.481 157.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -154.3 163.7 39.74 Favored 'General case' 0 C--N 1.338 0.101 0 C-N-CA 123.502 0.721 . . . . 0.0 111.965 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.0 t30 . . . . . 0 C--O 1.234 0.258 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 162.859 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? . . . . . 0 C--O 1.233 0.209 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.3 t -101.6 143.37 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 168.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -123.08 136.01 54.63 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 125.525 1.53 . . . . 0.0 106.883 177.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 23.5 mt -126.88 138.16 55.65 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 N-CA-C 103.92 -2.622 . . . . 0.0 103.92 179.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.7 tt -143.58 117.97 9.66 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 105.286 -2.116 . . . . 0.0 105.286 178.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.06 152.95 41.67 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.049 0.54 . . . . 0.0 110.303 -169.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -140.19 155.08 47.07 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 124.563 1.145 . . . . 0.0 111.36 174.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 159.07 -165.1 34.11 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.544 1.069 . . . . 0.0 111.0 -177.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.48 147.53 68.42 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 123.833 3.022 . . . . 0.0 112.033 174.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -62.9 -35.65 80.74 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.877 -0.514 . . . . 0.0 111.245 -178.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -70.67 -38.01 73.71 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.093 -1.004 . . . . 0.0 111.049 177.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.32 -44.29 92.04 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 122.894 0.477 . . . . 0.0 109.945 177.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.78 -43.22 99.29 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 118.343 -0.836 . . . . 0.0 110.308 176.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -60.28 -47.47 85.86 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 120.133 1.333 . . . . 0.0 111.534 177.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.8 m -56.62 -38.18 71.73 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 118.442 0.564 . . . . 0.0 110.836 174.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -70.0 -33.77 72.46 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 117.272 -1.347 . . . . 0.0 111.521 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.9 t -63.42 -44.53 98.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-N 121.347 1.885 . . . . 0.0 108.797 170.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -59.43 -35.59 74.31 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.87 0.759 . . . . 0.0 111.091 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.63 -53.47 27.71 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 122.945 0.498 . . . . 0.0 111.274 171.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.7 t -62.25 -42.57 95.81 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 C-N-CA 124.352 1.061 . . . . 0.0 111.08 -171.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -64.57 -19.07 65.43 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.92 0.782 . . . . 0.0 112.591 -175.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -69.4 -27.79 65.59 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.827 0.74 . . . . 0.0 111.737 174.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.27 -172.81 37.27 Favored Glycine 0 CA--C 1.535 1.331 0 N-CA-C 109.389 -1.485 . . . . 0.0 109.389 -154.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 99.4 p -66.81 161.44 61.34 Favored Pre-proline 0 CA--C 1.538 0.516 0 O-C-N 120.953 -1.322 . . . . 0.0 108.378 160.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -47.13 -24.69 3.69 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 123.619 2.879 . . . . 0.0 114.896 163.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -92.55 -18.4 23.18 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.097 0.959 . . . . 0.0 112.223 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.1 m -73.28 171.46 12.99 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.04 0.936 . . . . 0.0 112.043 -178.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -140.39 98.6 3.46 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 105.637 -1.986 . . . . 0.0 105.637 158.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.0 t -63.34 135.38 27.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 168.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.3 p -121.99 -16.38 7.57 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.636 0.774 . . . . 0.0 110.812 173.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -154.08 147.8 25.32 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.252 1.021 . . . . 0.0 109.253 172.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.6 tt -148.41 144.49 18.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 125.46 1.504 . . . . 0.0 107.854 -178.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.2 m -140.77 153.46 45.86 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 125.661 1.584 . . . . 0.0 108.736 -175.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.9 t -138.62 146.48 26.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 123.954 0.901 . . . . 0.0 109.535 -168.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -134.53 146.56 49.81 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 127.406 2.282 . . . . 0.0 105.725 170.429 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -124.73 154.59 40.63 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 124.33 1.052 . . . . 0.0 109.508 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.2 m -160.77 170.43 20.74 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.577 1.151 . . . . 0.0 110.256 -175.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -140.83 51.46 1.63 Allowed 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 125.296 1.438 . . . . 0.0 107.266 174.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.0 m -136.68 63.72 1.57 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 -155.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -55.95 136.42 51.84 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.774 -154.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.91 -22.67 15.67 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.328 1.451 . . . . 0.0 111.633 -175.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.29 17.99 72.62 Favored Glycine 0 CA--C 1.529 0.948 0 CA-C-O 118.112 -1.382 . . . . 0.0 115.487 151.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -61.15 150.45 34.2 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.997 1.899 . . . . 0.0 109.933 169.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 15.3 p-80 -82.33 4.58 23.27 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.616 1.166 . . . . 0.0 112.187 174.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.5 ptt-85 -158.71 171.16 20.61 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 125.432 1.493 . . . . 0.0 109.079 -167.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -89.47 155.57 19.22 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 154.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.0 m -135.14 150.37 50.17 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.638 0.775 . . . . 0.0 111.636 -176.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 28.3 mt -96.78 136.57 27.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 N-CA-C 104.142 -2.54 . . . . 0.0 104.142 157.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 47.9 t . . . . . 0 CA--C 1.536 0.422 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 178.047 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.7 mtt . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.902 0.382 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.7 mt -138.11 -179.72 5.95 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 126.053 1.741 . . . . 0.0 108.001 176.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -149.22 156.42 42.12 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -175.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -146.86 169.01 20.0 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.431 0.634 . . . . 0.0 111.109 167.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -122.9 140.1 53.34 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 105.447 -2.057 . . . . 0.0 105.447 161.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.7 mt -132.51 139.99 48.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 105.954 -1.869 . . . . 0.0 105.954 177.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.9 mm -119.19 137.88 51.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 104.889 -2.263 . . . . 0.0 104.889 173.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.1 t -131.64 139.22 51.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 -175.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -134.4 151.66 51.33 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 124.927 1.291 . . . . 0.0 109.029 -171.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.76 -155.17 21.07 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 124.698 1.142 . . . . 0.0 110.514 -179.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -73.8 84.93 1.68 Allowed 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 106.345 -1.724 . . . . 0.0 106.345 165.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.7 m -137.79 -17.17 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -173.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -80.9 -30.91 35.37 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 120.45 1.477 . . . . 0.0 113.558 -170.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -131.71 37.18 2.1 Favored Glycine 0 CA--C 1.525 0.713 0 C-N-CA 124.032 0.825 . . . . 0.0 111.963 -164.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.6 m -136.01 30.89 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 125.572 1.549 . . . . 0.0 110.158 -170.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.8 -8.83 40.72 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 121.375 -0.828 . . . . 0.0 113.599 177.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -61.5 -37.2 82.83 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 119.077 1.439 . . . . 0.0 113.236 -166.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.2 mtm105 -57.87 -38.59 76.01 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.701 1.137 . . . . 0.0 110.991 177.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -76.89 -36.38 56.74 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.489 0.716 . . . . 0.0 110.204 177.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -55.21 -51.75 65.57 Favored 'General case' 0 C--N 1.341 0.196 0 CA-C-N 118.78 0.718 . . . . 0.0 109.77 173.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.7 t -60.73 -40.35 84.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 C-N-CA 123.983 0.913 . . . . 0.0 110.077 177.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -56.34 -49.55 74.04 Favored 'General case' 0 C--N 1.341 0.198 0 CA-C-N 119.045 0.839 . . . . 0.0 110.627 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 76.2 mtm -72.68 -35.05 67.59 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 122.595 0.358 . . . . 0.0 110.564 -176.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -71.22 -25.07 62.33 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 118.593 -0.718 . . . . 0.0 112.482 178.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.33 -47.66 26.7 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 119.434 1.015 . . . . 0.0 109.503 168.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -59.7 -38.13 80.76 Favored 'General case' 0 CA--C 1.527 0.094 0 C-N-CA 123.603 0.761 . . . . 0.0 111.795 -176.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.258 0.0 OUTLIER -70.37 -2.22 12.99 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 178.851 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -121.79 8.48 9.98 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.191 1.396 . . . . 0.0 111.168 167.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 46.13 36.31 3.08 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.96 1.704 . . . . 0.0 112.375 -171.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.6 mt -69.63 162.96 26.59 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 171.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -143.22 145.8 33.1 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.272 0.629 . . . . 0.0 110.367 -170.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 138.19 -149.38 20.46 Favored Glycine 0 CA--C 1.535 1.322 0 N-CA-C 111.581 -0.607 . . . . 0.0 111.581 -163.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 13.6 p90 -141.37 167.29 22.53 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 118.159 0.979 . . . . 0.0 113.138 178.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.4 p -132.75 143.5 39.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 160.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.0 pttt -152.91 156.91 39.82 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 123.35 0.66 . . . . 0.0 110.415 -178.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.0 p30 . . . . . 0 N--CA 1.466 0.357 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 166.521 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 . . . . . 0 N--CA 1.468 0.444 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.9 t -123.94 145.3 31.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 105.721 -1.955 . . . . 0.0 105.721 166.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -118.64 138.74 52.39 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 125.756 1.623 . . . . 0.0 106.775 176.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.9 mt -131.01 137.23 56.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 N-CA-C 104.35 -2.463 . . . . 0.0 104.35 177.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.9 tt -148.42 122.16 9.27 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 106.063 -1.828 . . . . 0.0 106.063 -176.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -153.35 163.28 40.2 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 118.532 0.605 . . . . 0.0 112.433 -173.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -127.36 145.64 50.74 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 127.887 2.475 . . . . 0.0 107.114 178.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 170.06 -174.75 44.2 Favored Glycine 0 CA--C 1.527 0.835 0 CA-C-O 119.849 -0.417 . . . . 0.0 112.872 174.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -55.16 141.42 80.17 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 123.582 2.855 . . . . 0.0 110.81 168.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -64.27 -31.9 73.28 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -175.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -71.43 -41.41 69.54 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 121.289 -0.882 . . . . 0.0 110.923 177.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.01 -43.16 96.46 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 122.88 0.472 . . . . 0.0 109.727 176.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.1 mt -61.52 -47.84 83.75 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-O 118.689 -0.672 . . . . 0.0 110.476 176.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -59.64 -42.23 92.27 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 120.008 1.277 . . . . 0.0 111.092 178.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.0 m -62.04 -37.32 84.5 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 121.018 0.437 . . . . 0.0 110.88 176.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -66.55 -35.43 80.2 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 117.396 -1.288 . . . . 0.0 110.827 174.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.9 t -61.38 -45.17 99.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-N 121.252 1.842 . . . . 0.0 109.735 170.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -59.02 -38.06 78.37 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.67 0.668 . . . . 0.0 110.502 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.68 -50.48 62.76 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.116 0.417 . . . . 0.0 112.032 171.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.3 t -62.22 -43.39 97.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 124.899 1.28 . . . . 0.0 110.996 -171.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -63.33 -18.25 63.43 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 119.014 0.825 . . . . 0.0 113.096 -176.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -66.08 -29.14 69.42 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 118.921 0.782 . . . . 0.0 111.842 173.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.01 -171.88 38.18 Favored Glycine 0 CA--C 1.534 1.227 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 -155.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 93.5 p -69.59 161.73 72.12 Favored Pre-proline 0 CA--C 1.539 0.529 0 O-C-N 120.936 -1.332 . . . . 0.0 108.167 160.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -47.66 -21.29 2.24 Favored 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 123.704 2.936 . . . . 0.0 115.095 162.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -98.13 -14.25 20.52 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.486 1.114 . . . . 0.0 112.107 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.6 m -73.46 169.95 16.13 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.902 0.858 . . . . 0.0 112.024 -178.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.8 ttmt -136.97 95.2 3.07 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 105.061 -2.2 . . . . 0.0 105.061 157.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.4 t -62.1 134.92 27.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 167.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 61.4 p -117.03 -21.17 9.02 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.824 0.85 . . . . 0.0 110.515 175.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -156.34 156.03 33.23 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.304 1.042 . . . . 0.0 109.236 171.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.6 tt -147.77 144.74 19.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 125.665 1.586 . . . . 0.0 107.623 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.0 m -138.18 147.43 43.82 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 125.841 1.656 . . . . 0.0 108.032 -174.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.7 t -135.62 145.33 31.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -173.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.7 m -131.46 114.16 14.59 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 104.523 -2.399 . . . . 0.0 104.523 170.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.64 146.56 46.5 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 167.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.1 m -145.48 160.47 41.55 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.801 0.841 . . . . 0.0 109.7 -171.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -146.91 29.13 1.0 Allowed 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.14 0.495 . . . . 0.0 110.278 165.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.4 m -83.39 62.65 6.86 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.106 1.762 . . . . 0.0 106.829 174.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.8 mt -54.98 148.85 12.72 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 124.543 1.137 . . . . 0.0 111.791 -162.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -121.47 -13.01 8.48 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 125.708 1.603 . . . . 0.0 111.355 -167.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 61.19 17.51 52.52 Favored Glycine 0 CA--C 1.53 1.02 0 C-N-CA 124.643 1.116 . . . . 0.0 113.538 169.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.61 149.85 48.11 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 117.663 0.731 . . . . 0.0 109.468 -178.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -127.21 26.47 6.04 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.542 1.537 . . . . 0.0 109.165 175.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -154.13 152.27 30.22 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 127.23 2.212 . . . . 0.0 107.546 -176.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -110.91 150.79 28.7 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 107.028 -1.471 . . . . 0.0 107.028 167.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.7 m -135.9 157.36 47.04 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -177.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 22.9 mt -103.57 137.56 31.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 N-CA-C 104.376 -2.453 . . . . 0.0 104.376 161.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 20.4 t . . . . . 0 CA--C 1.536 0.423 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 176.717 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mmt . . . . . 0 N--CA 1.484 1.229 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 mt -147.84 -179.53 6.96 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 125.094 1.358 . . . . 0.0 108.88 176.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -147.3 150.61 35.13 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 126.503 1.921 . . . . 0.0 106.182 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -147.85 168.23 22.74 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 123.204 0.602 . . . . 0.0 111.118 172.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -128.71 140.4 51.76 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 106.126 -1.805 . . . . 0.0 106.126 163.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.9 mt -134.02 145.3 33.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 106.25 -1.759 . . . . 0.0 106.25 -173.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.7 mm -126.32 140.12 49.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 105.074 -2.195 . . . . 0.0 105.074 176.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.8 t -136.23 145.75 30.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 -170.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -141.72 150.91 42.43 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 125.382 1.473 . . . . 0.0 109.232 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 139.46 -158.88 25.63 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.108 -1.197 . . . . 0.0 110.108 -177.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -78.26 87.63 4.32 Favored 'General case' 0 C--O 1.231 0.118 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 163.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.3 m -128.99 17.74 2.65 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 C-N-CA 124.69 1.196 . . . . 0.0 110.41 -176.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -138.11 158.07 45.05 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 126.08 1.752 . . . . 0.0 107.403 169.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 63.69 27.52 71.17 Favored Glycine 0 CA--C 1.533 1.175 0 CA-C-O 119.199 -0.778 . . . . 0.0 112.065 -173.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.2 m -142.33 6.61 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 C-N-CA 126.057 1.743 . . . . 0.0 111.105 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.88 15.89 78.21 Favored Glycine 0 CA--C 1.532 1.118 0 O-C-N 121.462 -0.774 . . . . 0.0 113.858 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -59.31 -37.82 78.69 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 118.821 1.311 . . . . 0.0 112.891 -169.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 89.2 mtm-85 -63.69 -31.96 73.3 Favored 'General case' 0 N--CA 1.466 0.362 0 O-C-N 120.921 -1.112 . . . . 0.0 111.077 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -72.36 -38.16 68.62 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.911 0.778 . . . . 0.0 110.571 173.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -56.03 -51.28 68.35 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 119.184 0.902 . . . . 0.0 109.66 174.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.6 t -59.72 -43.37 91.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 124.153 0.981 . . . . 0.0 110.157 177.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -56.34 -48.94 75.76 Favored 'General case' 0 C--N 1.34 0.171 0 CA-C-N 118.956 0.798 . . . . 0.0 110.467 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.1 mtt -72.41 -34.23 67.72 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.65 0.38 . . . . 0.0 110.31 -176.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -70.82 -24.52 62.57 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 118.549 -0.738 . . . . 0.0 112.494 176.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.41 -45.45 31.55 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 119.606 1.093 . . . . 0.0 110.018 168.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -61.76 -37.0 82.68 Favored 'General case' 0 N--CA 1.461 0.122 0 C-N-CA 123.811 0.844 . . . . 0.0 111.59 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.26 0.0 OUTLIER -69.37 -3.05 12.57 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 178.008 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -121.76 6.49 9.93 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.415 1.486 . . . . 0.0 111.308 168.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp 44.93 39.66 3.82 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.966 1.706 . . . . 0.0 112.088 -171.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 98.5 mt -68.25 165.13 19.09 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 170.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.91 149.1 52.69 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 123.805 0.842 . . . . 0.0 109.469 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 139.36 -153.36 22.91 Favored Glycine 0 CA--C 1.531 1.067 0 N-CA-C 111.835 -0.506 . . . . 0.0 111.835 -170.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 1.9 p90 -141.09 166.2 25.44 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.984 0.897 . . . . 0.0 112.906 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.5 p -127.4 143.73 39.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 159.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 55.0 pttt -149.18 150.87 33.36 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 122.707 0.403 . . . . 0.0 111.314 176.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -71.23 154.41 41.68 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 165.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.8 mtt180 -113.72 135.87 53.47 Favored 'General case' 0 N--CA 1.461 0.123 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 168.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -59.72 -25.85 65.15 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.755 0.822 . . . . 0.0 111.863 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -56.9 -30.46 63.94 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.853 1.261 . . . . 0.0 112.807 173.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.71 -11.34 9.55 Favored Glycine 0 CA--C 1.532 1.129 0 C-N-CA 125.282 1.42 . . . . 0.0 113.034 -178.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.63 177.14 9.21 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.583 1.153 . . . . 0.0 110.634 173.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.3 t -125.14 154.38 33.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 169.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -130.67 143.08 50.5 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.006 1.322 . . . . 0.0 108.187 -177.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -124.03 148.06 28.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 171.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.6 tt -145.97 126.27 13.95 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 105.198 -2.149 . . . . 0.0 105.198 171.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -143.18 161.32 38.55 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 118.879 0.763 . . . . 0.0 111.061 -173.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -140.43 144.01 35.91 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 127.671 2.389 . . . . 0.0 107.058 174.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 161.18 -168.7 36.54 Favored Glycine 0 CA--C 1.528 0.865 0 CA-C-O 119.555 -0.58 . . . . 0.0 112.224 174.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -54.71 133.39 56.96 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 123.547 2.832 . . . . 0.0 110.408 172.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 pm0 -65.5 -27.43 68.47 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -173.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -69.87 -42.38 73.55 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 119.265 0.939 . . . . 0.0 111.047 172.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.71 -39.81 91.59 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 122.83 0.452 . . . . 0.0 110.091 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.4 mt -62.21 -48.01 81.88 Favored 'General case' 0 C--O 1.222 -0.371 0 C-N-CA 123.483 0.713 . . . . 0.0 110.439 175.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -59.39 -42.46 91.76 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 119.757 1.162 . . . . 0.0 110.656 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.8 m -61.34 -36.24 79.63 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 122.788 0.435 . . . . 0.0 111.007 175.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -69.52 -33.56 73.0 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 117.493 -1.241 . . . . 0.0 111.264 175.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.2 t -61.96 -42.62 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 121.17 1.805 . . . . 0.0 109.087 169.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -60.66 -38.27 84.32 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.125 0.875 . . . . 0.0 110.689 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.03 -50.52 65.9 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.286 0.494 . . . . 0.0 111.675 172.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.2 t -61.81 -46.86 95.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 C-N-CA 123.948 0.899 . . . . 0.0 110.156 -175.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -67.17 -21.16 65.81 Favored 'General case' 0 CA--C 1.53 0.212 0 CA-C-N 118.794 0.725 . . . . 0.0 112.297 -173.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -67.47 -29.11 68.48 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.698 0.681 . . . . 0.0 111.18 172.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.59 -178.67 35.07 Favored Glycine 0 CA--C 1.531 1.076 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 -156.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.9 157.67 74.33 Favored Pre-proline 0 CA--C 1.539 0.553 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 156.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 99.1 Cg_exo -46.66 -33.67 13.94 Favored 'Trans proline' 0 CA--C 1.543 0.951 0 C-N-CA 123.201 2.601 . . . . 0.0 113.992 164.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -74.15 -29.47 61.81 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.24 1.016 . . . . 0.0 112.826 176.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.5 m -78.4 176.46 9.33 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.734 1.614 . . . . 0.0 111.106 -176.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.5 pttt -144.12 114.55 7.55 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 154.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 99.9 t -69.93 136.52 25.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 164.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.4 p -119.13 -18.61 8.66 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.849 0.86 . . . . 0.0 110.741 175.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -155.04 151.89 28.95 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 124.347 1.059 . . . . 0.0 109.115 170.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.4 tt -150.4 147.88 15.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 125.289 1.436 . . . . 0.0 108.111 -178.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 57.3 m -138.75 144.89 39.66 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 126.098 1.759 . . . . 0.0 107.83 -176.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.3 t -136.63 144.72 31.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 C-N-CA 124.367 1.067 . . . . 0.0 108.416 -173.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.2 m -137.29 116.33 12.45 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 105.364 -2.087 . . . . 0.0 105.364 169.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -70.19 156.05 39.77 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 166.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.1 m -141.81 156.55 45.55 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 125.263 1.425 . . . . 0.0 108.062 -178.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -140.26 40.01 1.92 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.242 1.017 . . . . 0.0 108.433 -176.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.5 m -138.23 65.49 1.47 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 127.179 2.192 . . . . 0.0 106.199 -171.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 66.7 mt -49.12 148.57 2.36 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 127.048 2.139 . . . . 0.0 114.725 -155.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -72.96 -34.73 66.68 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.951 1.3 . . . . 0.0 109.995 171.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.43 18.24 49.97 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 124.238 0.923 . . . . 0.0 113.189 -174.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -72.92 166.52 22.87 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.323 1.049 . . . . 0.0 110.444 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 34.7 p80 -127.68 3.76 6.11 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.48 1.112 . . . . 0.0 112.423 -175.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -148.09 165.27 31.32 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 124.796 1.239 . . . . 0.0 108.966 176.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -97.57 153.2 18.33 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 166.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.0 m -141.14 159.02 43.11 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 118.543 0.61 . . . . 0.0 112.02 -176.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 28.1 mt -103.38 130.76 53.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 N-CA-C 104.463 -2.421 . . . . 0.0 104.463 166.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 80.0 t -133.27 160.2 42.56 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 125.315 1.446 . . . . 0.0 107.567 -169.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -141.05 3.36 1.79 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.247 1.019 . . . . 0.0 112.198 177.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.2 m . . . . . 0 C--O 1.25 1.13 0 C-N-CA 124.947 1.299 . . . . 0.0 110.585 179.285 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.7 mmt . . . . . 0 N--CA 1.486 1.346 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 48.5 tp -139.17 170.9 15.12 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.812 1.645 . . . . 0.0 108.113 -177.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -148.34 148.92 30.93 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 126.542 1.937 . . . . 0.0 107.05 -174.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -145.91 166.64 25.39 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 123.057 0.543 . . . . 0.0 111.016 166.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.9 ttm-85 -120.2 140.1 51.66 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 163.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 52.4 mt -133.41 139.51 48.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 -179.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.8 mm -115.44 142.77 27.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 N-CA-C 105.358 -2.09 . . . . 0.0 105.358 172.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.7 t -138.03 138.64 43.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 107.009 -1.478 . . . . 0.0 107.009 -175.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -140.73 154.07 46.17 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 124.804 1.242 . . . . 0.0 109.457 -176.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.82 -158.41 23.81 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 109.217 -1.553 . . . . 0.0 109.217 -172.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -75.09 79.79 2.25 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 163.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.9 m -130.15 2.58 2.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 124.392 1.077 . . . . 0.0 111.363 -177.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -133.85 162.82 30.97 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 165.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 71.58 12.08 73.31 Favored Glycine 0 CA--C 1.538 1.515 0 N-CA-C 111.703 -0.559 . . . . 0.0 111.703 -161.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.4 m -145.67 160.13 12.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 128.217 2.607 . . . . 0.0 106.154 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.02 20.91 2.29 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 124.041 0.829 . . . . 0.0 114.67 -170.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -59.27 -34.02 71.75 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.856 1.328 . . . . 0.0 112.487 -172.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -47.6 64.69 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.165 0.586 . . . . 0.0 110.041 175.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -71.81 -39.85 69.55 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 118.657 -0.687 . . . . 0.0 110.216 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -56.02 -50.98 69.38 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-N 118.856 0.753 . . . . 0.0 110.432 178.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.8 t -58.07 -47.76 86.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 123.647 0.779 . . . . 0.0 109.62 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -58.72 -46.92 86.27 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.805 0.729 . . . . 0.0 111.08 178.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 66.4 mtt -70.9 -33.46 70.58 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.804 -0.56 . . . . 0.0 110.793 -173.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -68.26 -37.2 80.49 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.447 0.567 . . . . 0.0 110.799 173.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.01 -42.53 94.35 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.899 0.772 . . . . 0.0 110.523 173.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -66.22 -42.07 89.22 Favored 'General case' 0 C--O 1.228 -0.055 0 C-N-CA 123.763 0.825 . . . . 0.0 111.615 -177.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.06 -25.25 65.26 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 119.931 1.241 . . . . 0.0 111.712 176.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -83.64 -1.63 54.38 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 118.823 0.738 . . . . 0.0 112.469 168.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt 43.87 41.93 4.17 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 126.951 2.1 . . . . 0.0 112.915 -172.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.1 mt -74.92 168.97 18.89 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 163.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.59 148.8 52.43 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.276 1.03 . . . . 0.0 108.239 173.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 160.58 -156.13 27.39 Favored Glycine 0 CA--C 1.527 0.793 0 CA-C-N 118.431 0.56 . . . . 0.0 114.076 -169.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 1.6 p90 -142.81 166.97 23.2 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 124.149 0.98 . . . . 0.0 111.05 169.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.7 p -135.99 137.94 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 168.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -149.61 159.72 44.09 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 113.129 0.788 . . . . 0.0 113.129 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -64.45 131.12 46.24 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 155.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -86.71 148.86 25.25 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 167.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -54.69 -32.39 59.34 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -175.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -64.59 -21.18 66.64 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.402 1.081 . . . . 0.0 113.305 176.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.11 -1.46 29.88 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 125.813 1.673 . . . . 0.0 113.039 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -78.53 175.67 10.13 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 118.83 1.315 . . . . 0.0 109.12 175.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 80.8 t -97.94 148.0 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 106.145 -1.798 . . . . 0.0 106.145 164.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -134.64 137.0 43.28 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 125.964 1.706 . . . . 0.0 106.99 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.0 mt -131.33 142.73 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 N-CA-C 104.439 -2.43 . . . . 0.0 104.439 -175.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.7 tt -142.54 122.49 13.6 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 105.149 -2.167 . . . . 0.0 105.149 175.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -143.59 158.03 43.97 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 118.31 0.504 . . . . 0.0 110.343 -174.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -138.27 155.62 48.44 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 126.067 1.747 . . . . 0.0 109.621 173.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 159.3 -167.84 35.11 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 124.427 1.013 . . . . 0.0 110.66 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.32 149.35 63.2 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 122.133 1.888 . . . . 0.0 110.209 174.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -58.02 -42.91 86.31 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.862 0.865 . . . . 0.0 111.689 -170.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -68.59 -37.91 80.23 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 118.73 0.696 . . . . 0.0 111.907 -176.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.91 -40.9 91.92 Favored 'General case' 0 C--N 1.338 0.078 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 175.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.0 mt -62.14 -42.45 99.26 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 118.378 -0.82 . . . . 0.0 110.581 175.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -62.39 -46.21 89.64 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.896 1.225 . . . . 0.0 110.031 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.1 m -57.58 -37.83 73.85 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.626 0.77 . . . . 0.0 110.606 176.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -70.35 -34.35 72.52 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 117.532 -1.223 . . . . 0.0 111.593 176.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.2 t -63.25 -41.32 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-N 121.381 1.901 . . . . 0.0 109.566 170.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -59.42 -39.74 84.47 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.253 0.933 . . . . 0.0 110.308 178.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.84 -49.43 70.63 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 122.589 0.356 . . . . 0.0 111.288 174.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 48.5 t -63.55 -46.11 95.87 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 123.513 0.725 . . . . 0.0 110.34 -175.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -67.6 -17.19 64.54 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.897 0.771 . . . . 0.0 112.684 -176.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -68.66 -27.4 65.95 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.025 0.829 . . . . 0.0 111.223 171.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.34 175.36 12.58 Favored Glycine 0 CA--C 1.532 1.121 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 -155.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 83.0 p -70.63 160.68 80.88 Favored Pre-proline 0 C--O 1.237 0.437 0 C-N-CA 118.419 -1.313 . . . . 0.0 108.175 161.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -49.8 -3.27 0.05 OUTLIER 'Trans proline' 0 CA--C 1.546 1.111 0 C-N-CA 124.478 3.452 . . . . 0.0 116.058 160.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -125.85 9.88 7.62 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.965 1.706 . . . . 0.0 111.34 -177.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.1 m -130.36 171.42 12.96 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.914 1.285 . . . . 0.0 110.178 -177.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -142.09 90.1 2.23 Favored 'General case' 0 CA--C 1.523 -0.084 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 174.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.2 p -59.69 136.13 23.6 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 161.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.4 p -121.91 -14.96 7.96 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.519 1.127 . . . . 0.0 110.775 175.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -152.93 145.24 23.98 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.414 1.086 . . . . 0.0 109.454 174.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 11.2 tt -144.37 143.71 23.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 125.669 1.588 . . . . 0.0 107.603 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 64.5 m -140.75 130.99 24.96 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 125.133 1.373 . . . . 0.0 107.843 -176.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.2 p -128.67 145.67 35.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 C-N-CA 124.886 1.274 . . . . 0.0 110.852 -173.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.0 m -138.02 115.94 11.58 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 105.703 -1.962 . . . . 0.0 105.703 174.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -67.13 162.82 21.53 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.791 0.805 . . . . 0.0 109.102 167.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.7 m -152.88 162.77 40.88 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 124.722 1.209 . . . . 0.0 108.36 174.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -139.78 35.07 1.98 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.147 0.979 . . . . 0.0 108.927 -171.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.3 m -136.62 62.4 1.61 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.772 2.029 . . . . 0.0 106.356 -172.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.4 mp -54.78 154.65 4.9 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.989 1.716 . . . . 0.0 113.659 -160.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -69.92 -39.99 75.82 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.071 1.349 . . . . 0.0 109.657 176.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.45 37.3 94.58 Favored Glycine 0 CA--C 1.534 1.227 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 -166.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.98 167.08 22.44 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.021 1.328 . . . . 0.0 109.341 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -141.35 23.43 2.16 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.846 0.858 . . . . 0.0 110.618 -178.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -159.93 172.32 17.79 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 125.886 1.674 . . . . 0.0 107.995 -173.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -122.97 133.37 54.38 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 164.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.0 m -122.19 160.46 25.12 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.541 0.736 . . . . 0.0 111.343 -167.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 10.9 mt -118.47 135.82 57.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 106.824 -1.547 . . . . 0.0 106.824 175.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.87 -179.17 1.75 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 C-N-CA 124.016 0.926 . . . . 0.0 109.748 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -136.99 1.69 2.51 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.355 1.062 . . . . 0.0 112.952 -172.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 C--O 1.251 1.159 0 CA-C-O 117.841 -1.076 . . . . 0.0 110.068 -161.564 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 mmt . . . . . 0 N--CA 1.486 1.349 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.4 mt -134.76 177.92 7.41 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 125.428 1.491 . . . . 0.0 107.956 173.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -142.94 151.53 41.05 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.498 1.519 . . . . 0.0 108.098 177.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -143.07 167.23 22.57 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.103 0.477 . . . . 0.0 110.821 163.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -129.05 134.24 48.03 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 105.375 -2.083 . . . . 0.0 105.375 169.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.9 mt -131.79 137.02 55.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 106.055 -1.832 . . . . 0.0 106.055 -172.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.2 mm -112.12 141.34 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 105.203 -2.147 . . . . 0.0 105.203 174.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.6 t -134.96 134.68 53.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 106.492 -1.67 . . . . 0.0 106.492 -178.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -132.09 149.64 52.36 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 125.271 1.428 . . . . 0.0 108.438 -173.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 137.03 -159.54 24.66 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 110.441 -1.063 . . . . 0.0 110.441 -178.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.6 ttt-85 -75.86 75.75 2.79 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 107.085 -1.45 . . . . 0.0 107.085 168.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.5 m -130.05 5.43 2.31 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 125.224 1.41 . . . . 0.0 110.776 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -136.22 150.9 49.18 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 106.241 -1.763 . . . . 0.0 106.241 174.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.99 1.83 63.88 Favored Glycine 0 CA--C 1.539 1.585 0 N-CA-C 111.969 -0.452 . . . . 0.0 111.969 -156.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.8 m -142.82 154.06 17.39 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 C-N-CA 128.123 2.569 . . . . 0.0 106.087 175.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.96 35.3 2.74 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-O 118.99 -0.894 . . . . 0.0 114.767 -161.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -55.94 -35.41 66.62 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 119.203 1.502 . . . . 0.0 112.693 -174.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.2 mtm-85 -56.31 -39.2 72.37 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.349 -0.844 . . . . 0.0 111.329 176.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -71.14 -39.55 71.91 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 118.94 0.791 . . . . 0.0 110.585 178.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -56.76 -52.34 65.38 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.786 0.721 . . . . 0.0 109.596 175.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.1 t -61.28 -40.13 84.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 123.242 0.617 . . . . 0.0 110.159 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -55.88 -50.11 71.53 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-N 118.998 0.817 . . . . 0.0 110.405 178.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 77.1 mtm -71.45 -36.81 71.36 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 119.461 -0.304 . . . . 0.0 110.594 -175.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -67.19 -32.45 73.53 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 118.454 0.57 . . . . 0.0 111.741 177.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.87 -43.21 65.83 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.918 0.781 . . . . 0.0 110.623 173.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -65.32 -44.68 87.04 Favored 'General case' 0 C--O 1.231 0.102 0 C-N-CA 123.769 0.828 . . . . 0.0 111.423 -175.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -18.59 64.18 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 118.571 0.623 . . . . 0.0 112.307 175.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 tpt85 -103.02 7.44 39.04 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.42 1.088 . . . . 0.0 111.383 176.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.6 mttm 47.77 34.37 3.78 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.906 2.082 . . . . 0.0 112.985 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.1 mt -75.3 165.75 24.68 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 172.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.64 146.52 50.98 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.046 0.938 . . . . 0.0 109.006 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 141.55 -154.11 24.5 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-N 118.177 0.444 . . . . 0.0 112.103 -167.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 3.1 p90 -137.51 162.47 33.63 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 117.83 0.815 . . . . 0.0 112.741 -178.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.6 p -132.65 142.72 41.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 156.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -161.7 171.63 17.6 Favored 'General case' 0 C--N 1.335 -0.056 0 C-N-CA 123.198 0.599 . . . . 0.0 112.276 -172.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -64.63 157.02 28.24 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.46 0.704 . . . . 0.0 109.748 162.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 56.3 ttt85 -129.25 136.51 50.19 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 165.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -60.67 -26.43 67.08 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.765 1.226 . . . . 0.0 113.946 -163.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -61.56 -21.48 64.32 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.111 0.564 . . . . 0.0 112.341 175.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.59 29.95 1.48 Allowed Glycine 0 CA--C 1.527 0.802 0 C-N-CA 125.195 1.379 . . . . 0.0 112.066 175.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.8 mmt180 -125.4 179.1 5.26 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.825 1.313 . . . . 0.0 109.84 -170.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.3 t -102.97 148.51 8.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 105.521 -2.029 . . . . 0.0 105.521 164.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -131.58 138.98 49.07 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 177.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.8 mt -128.65 143.38 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 N-CA-C 104.462 -2.422 . . . . 0.0 104.462 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.4 tt -144.63 127.7 16.57 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 105.164 -2.161 . . . . 0.0 105.164 175.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -141.91 147.24 36.76 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 118.373 0.533 . . . . 0.0 110.035 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -116.52 153.56 31.95 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 125.556 1.542 . . . . 0.0 108.599 164.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 161.1 -171.62 37.18 Favored Glycine 0 CA--C 1.528 0.898 0 CA-C-O 119.677 -0.513 . . . . 0.0 112.768 176.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -57.48 149.14 68.21 Favored 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 123.911 3.074 . . . . 0.0 111.616 171.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -59.48 -45.56 91.32 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.162 0.585 . . . . 0.0 110.923 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -65.08 -40.59 94.84 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 118.387 0.539 . . . . 0.0 111.228 -177.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.58 -46.54 85.4 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 123.042 0.537 . . . . 0.0 110.231 176.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.5 mt -62.01 -45.74 92.27 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.53 0.732 . . . . 0.0 110.662 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -60.7 -45.76 92.97 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.118 0.872 . . . . 0.0 110.485 178.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.8 m -57.87 -39.17 77.17 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 120.899 0.38 . . . . 0.0 110.508 176.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -70.01 -32.57 70.81 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 117.424 -1.274 . . . . 0.0 111.396 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.5 t -62.51 -44.66 99.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 121.289 1.859 . . . . 0.0 109.545 168.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -59.07 -37.98 78.36 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 119.104 0.866 . . . . 0.0 110.515 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.17 -51.26 59.53 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.034 0.534 . . . . 0.0 111.367 173.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.6 t -63.81 -44.22 98.13 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 C-N-CA 124.069 0.948 . . . . 0.0 110.642 -173.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 44.1 pttt -66.99 -19.04 65.65 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.95 0.796 . . . . 0.0 112.657 -174.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -68.45 -28.32 66.95 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.712 0.687 . . . . 0.0 111.257 172.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.45 172.57 11.5 Favored Glycine 0 CA--C 1.533 1.172 0 N-CA-C 110.245 -1.142 . . . . 0.0 110.245 -158.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 27.3 t -65.2 144.85 99.12 Favored Pre-proline 0 CA--C 1.534 0.345 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 161.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -48.59 -27.44 10.63 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 123.494 2.796 . . . . 0.0 114.138 165.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -89.87 -0.37 57.52 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.277 1.031 . . . . 0.0 112.663 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.9 m -125.77 176.38 6.96 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.233 1.813 . . . . 0.0 109.514 -174.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.9 ttmt -144.69 95.72 2.75 Favored 'General case' 0 N--CA 1.461 0.125 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 175.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.3 p -59.74 137.43 22.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 162.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 54.0 p -120.2 -18.57 7.99 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.388 1.075 . . . . 0.0 110.867 174.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -154.42 150.92 28.39 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 124.227 1.011 . . . . 0.0 109.543 173.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.8 tt -146.31 146.01 19.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 125.776 1.63 . . . . 0.0 108.295 -176.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.3 m -139.74 149.15 43.25 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 125.752 1.621 . . . . 0.0 108.448 -176.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 50.2 t -139.96 145.06 27.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 C-N-CA 124.208 1.003 . . . . 0.0 109.073 -171.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.5 m -137.96 140.82 40.44 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 106.077 -1.823 . . . . 0.0 106.077 166.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -126.57 158.54 35.98 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.074 0.949 . . . . 0.0 110.883 -175.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.1 t -159.55 175.3 13.41 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.814 1.246 . . . . 0.0 110.237 -174.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -124.97 1.29 8.0 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.784 1.633 . . . . 0.0 110.006 169.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.1 m -80.6 134.96 35.98 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 105.651 -1.981 . . . . 0.0 105.651 163.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.5 mt -118.57 170.04 9.29 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 -165.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -95.25 -5.2 44.26 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.671 0.788 . . . . 0.0 111.515 -175.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 61.91 20.45 59.98 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 124.685 1.136 . . . . 0.0 112.188 -174.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -77.03 158.45 30.55 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.21 1.005 . . . . 0.0 110.104 -177.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 35.5 p80 -131.69 2.61 4.1 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.657 1.183 . . . . 0.0 112.061 -178.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -148.21 167.06 26.08 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 125.806 1.642 . . . . 0.0 108.017 174.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -95.56 150.69 20.06 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 166.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.5 m -140.83 158.81 43.42 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 118.33 0.514 . . . . 0.0 111.688 -175.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 36.4 mt -103.03 133.76 45.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 N-CA-C 105.025 -2.213 . . . . 0.0 105.025 167.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.9 t -133.4 172.14 16.89 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 N-CA-C 106.535 -1.654 . . . . 0.0 106.535 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -135.81 0.46 2.68 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 -166.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.8 m . . . . . 0 C--O 1.249 1.042 0 C-N-CA 124.881 1.272 . . . . 0.0 107.836 179.734 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 81.0 mmm . . . . . 0 N--CA 1.481 1.105 0 CA-C-O 121.141 0.496 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 51.1 tp -145.67 169.85 17.65 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 126.322 1.849 . . . . 0.0 107.235 -178.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -146.4 148.65 32.54 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.689 1.196 . . . . 0.0 107.81 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -141.56 168.17 20.41 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.399 0.619 . . . . 0.0 111.142 171.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 -129.04 137.0 51.05 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 105.039 -2.208 . . . . 0.0 105.039 164.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.7 mt -130.98 140.94 47.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 106.271 -1.751 . . . . 0.0 106.271 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 23.6 mm -118.28 140.51 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 105.092 -2.188 . . . . 0.0 105.092 176.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.1 t -134.23 141.31 44.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 -174.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.415 ' CG ' ' HE ' ' A' ' 41' ' ' ARG . 21.4 t0 -136.38 150.72 48.94 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 126.283 1.833 . . . . 0.0 108.657 -175.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.68 -159.64 23.52 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 124.849 1.214 . . . . 0.0 110.153 -177.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 59.2 ttp85 -78.58 79.23 5.01 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 168.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 36.0 m -130.05 6.46 2.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 C-N-CA 125.014 1.325 . . . . 0.0 111.346 -174.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -131.66 162.55 30.14 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 169.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.86 -54.72 4.19 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 -162.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.3 m -63.63 147.27 12.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 159.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.76 37.68 2.66 Favored Glycine 0 CA--C 1.528 0.861 0 C-N-CA 124.548 1.07 . . . . 0.0 113.659 -170.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -56.02 -33.95 65.4 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 118.577 1.188 . . . . 0.0 112.92 -173.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.3 mtm-85 -57.94 -38.66 76.37 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 120.966 -1.084 . . . . 0.0 111.277 175.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -71.39 -38.57 71.49 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.665 0.666 . . . . 0.0 110.511 176.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -57.31 -51.7 68.33 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.895 0.77 . . . . 0.0 109.676 175.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.6 t -59.83 -40.75 83.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 C-N-CA 123.741 0.816 . . . . 0.0 110.076 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.77 -49.13 76.2 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 119.239 0.927 . . . . 0.0 110.803 178.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.4 mtt -71.51 -37.67 71.19 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 122.468 0.307 . . . . 0.0 110.248 -175.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -68.25 -30.54 69.6 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 119.152 -0.451 . . . . 0.0 111.691 178.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.98 -44.24 63.83 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 118.734 0.697 . . . . 0.0 110.429 172.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -65.06 -44.95 87.33 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 123.862 0.865 . . . . 0.0 111.323 -174.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.31 -15.73 58.18 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 175.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.0 tpt85 -109.02 9.2 26.44 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.817 1.247 . . . . 0.0 111.176 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.5 mttt 47.92 34.55 4.13 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.829 2.051 . . . . 0.0 113.14 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.6 mt -76.29 168.22 20.44 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 121.835 -0.541 . . . . 0.0 109.755 173.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -139.11 153.05 47.95 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.448 1.099 . . . . 0.0 109.082 176.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 138.55 -150.35 21.04 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -168.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 14.3 p90 -143.45 165.65 26.95 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 118.366 1.083 . . . . 0.0 112.832 176.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.2 p -129.58 144.69 37.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 159.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -152.5 159.6 43.31 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 121.191 0.52 . . . . 0.0 112.375 -175.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -63.36 143.78 57.52 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 161.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.7 ttp180 -113.08 140.7 47.65 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 169.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.94 -28.46 70.09 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 113.091 0.775 . . . . 0.0 113.091 -166.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -72.17 -8.66 55.97 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.429 1.091 . . . . 0.0 112.93 176.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.3 -3.98 29.79 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 125.307 1.432 . . . . 0.0 112.79 177.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.415 ' HE ' ' CG ' ' A' ' 9' ' ' ASP . 0.3 OUTLIER -83.59 178.13 8.12 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 119.178 1.489 . . . . 0.0 109.75 178.524 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.9 t -112.28 142.14 25.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 169.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -116.51 139.28 50.65 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 106.484 -1.673 . . . . 0.0 106.484 173.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.2 mt -127.73 140.9 47.88 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 N-CA-C 104.401 -2.444 . . . . 0.0 104.401 176.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.9 tt -145.47 122.6 11.46 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 105.345 -2.094 . . . . 0.0 105.345 178.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -143.99 150.82 38.87 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 118.459 0.572 . . . . 0.0 110.657 -173.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -121.26 152.2 39.15 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 125.65 1.58 . . . . 0.0 108.736 167.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 165.77 -176.52 41.21 Favored Glycine 0 CA--C 1.526 0.752 0 CA-C-O 119.856 -0.413 . . . . 0.0 112.257 176.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -54.94 144.93 65.31 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 123.381 2.721 . . . . 0.0 111.271 167.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -58.28 -38.04 76.21 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.491 0.717 . . . . 0.0 111.504 -178.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -68.37 -44.83 74.31 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 121.548 -0.72 . . . . 0.0 110.706 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.02 -44.82 94.35 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 123.235 0.614 . . . . 0.0 110.413 177.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 55.1 mt -63.62 -40.89 98.06 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 118.432 -0.794 . . . . 0.0 110.828 177.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -61.63 -45.31 94.63 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 120.262 1.392 . . . . 0.0 111.287 177.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.6 m -56.77 -38.18 72.12 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 118.549 0.613 . . . . 0.0 110.862 173.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -69.54 -34.46 74.26 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 117.444 -1.265 . . . . 0.0 111.437 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.0 t -62.73 -44.94 99.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 121.104 1.775 . . . . 0.0 108.87 170.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.02 -35.97 76.22 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.779 0.718 . . . . 0.0 111.154 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.44 -51.11 55.42 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.134 0.574 . . . . 0.0 111.123 173.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.9 t -63.77 -44.5 98.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 124.215 1.006 . . . . 0.0 110.808 -173.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -64.59 -21.26 66.66 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.94 0.791 . . . . 0.0 112.554 -174.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -69.85 -27.19 64.64 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 118.344 0.52 . . . . 0.0 111.824 174.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.74 -174.87 38.76 Favored Glycine 0 CA--C 1.533 1.162 0 N-CA-C 109.415 -1.474 . . . . 0.0 109.415 -155.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.76 156.47 83.11 Favored Pre-proline 0 CA--C 1.54 0.59 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 157.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -47.33 -34.19 18.19 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 123.145 2.563 . . . . 0.0 113.803 167.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -77.21 -25.52 51.78 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.058 0.943 . . . . 0.0 113.179 178.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.1 m -78.38 177.24 8.63 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.195 1.398 . . . . 0.0 111.806 -174.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -141.09 101.2 3.98 Favored 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 164.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.0 t -64.54 135.83 27.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 N-CA-C 106.71 -1.589 . . . . 0.0 106.71 163.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 77.2 p -117.89 -21.28 8.44 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.707 0.803 . . . . 0.0 110.73 172.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -155.26 153.99 31.47 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 124.115 0.966 . . . . 0.0 109.379 172.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.0 tt -149.45 144.96 17.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 C-N-CA 125.8 1.64 . . . . 0.0 107.821 -176.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 42.8 m -139.07 151.69 46.95 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.5 1.52 . . . . 0.0 108.455 -176.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.1 t -138.12 146.18 27.43 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 C-N-CA 123.931 0.892 . . . . 0.0 109.1 -168.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -135.06 144.04 47.02 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 127.186 2.195 . . . . 0.0 105.125 172.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -130.76 143.39 50.71 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 119.737 1.153 . . . . 0.0 108.888 -177.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.0 m -151.23 170.05 20.44 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.938 1.295 . . . . 0.0 109.801 -165.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -135.48 32.38 3.07 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.679 1.192 . . . . 0.0 108.333 176.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.3 m -118.8 55.67 0.92 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.772 1.629 . . . . 0.0 107.996 -159.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.1 mp -44.31 139.96 2.44 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 127.465 2.306 . . . . 0.0 112.702 -164.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -73.65 -37.74 65.2 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.806 1.242 . . . . 0.0 109.75 175.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 59.31 37.43 91.89 Favored Glycine 0 CA--C 1.534 1.243 0 N-CA-C 110.621 -0.992 . . . . 0.0 110.621 -164.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -68.61 146.79 52.73 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.119 0.968 . . . . 0.0 109.479 -174.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -70.55 -27.76 64.4 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -174.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -159.53 177.69 10.67 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 126.198 1.799 . . . . 0.0 108.216 -175.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -85.15 140.82 30.64 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 159.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.5 m -132.97 161.75 33.49 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 119.272 0.942 . . . . 0.0 111.679 -172.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.2 mt -105.38 134.37 47.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 104.711 -2.329 . . . . 0.0 104.711 165.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 58.8 t -132.29 153.02 37.59 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 -174.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -135.89 2.06 2.82 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.609 0.764 . . . . 0.0 112.353 -169.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.2 m . . . . . 0 C--O 1.25 1.115 0 C-N-CA 125.197 1.399 . . . . 0.0 110.647 179.747 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 mmt . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 39.6 tp -148.62 166.36 28.55 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 125.626 1.57 . . . . 0.0 108.065 -178.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -134.85 148.54 50.17 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 125.343 1.457 . . . . 0.0 107.942 175.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -138.71 169.94 16.89 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.344 0.592 . . . . 0.0 110.821 167.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -129.89 138.69 51.07 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 105.887 -1.894 . . . . 0.0 105.887 164.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.8 mt -132.98 142.75 41.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 107.1 -1.444 . . . . 0.0 107.1 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.7 mm -114.31 143.71 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 173.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.5 t -136.72 135.63 48.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -125.14 155.14 40.39 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 126.428 1.891 . . . . 0.0 109.11 178.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.2 -157.37 22.85 Favored Glycine 0 CA--C 1.525 0.69 0 C-N-CA 125.111 1.338 . . . . 0.0 111.149 176.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.4 ttt85 -72.08 79.55 0.94 Allowed 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 160.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.2 m -136.0 8.11 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 C-N-CA 123.667 0.787 . . . . 0.0 111.7 -172.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -141.65 166.0 25.94 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 165.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.37 -50.89 4.1 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 -166.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.1 m -59.64 150.25 6.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 153.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.96 34.11 1.69 Allowed Glycine 0 CA--C 1.529 0.963 0 C-N-CA 124.381 0.991 . . . . 0.0 113.201 -175.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -61.88 -33.89 75.02 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.406 1.103 . . . . 0.0 111.881 -172.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 79.9 mtm-85 -59.85 -38.06 81.05 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 120.07 1.304 . . . . 0.0 110.812 177.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -69.56 -39.27 77.49 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.052 0.541 . . . . 0.0 110.492 175.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -57.62 -52.63 64.64 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.582 0.628 . . . . 0.0 109.86 175.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.0 t -58.14 -42.95 84.44 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 124.163 0.985 . . . . 0.0 109.784 177.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -55.83 -50.42 70.59 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 118.558 0.617 . . . . 0.0 110.813 179.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.5 mmt -79.44 -29.35 41.8 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 119.391 -0.338 . . . . 0.0 111.219 -171.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -67.42 -39.91 85.51 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 118.643 0.656 . . . . 0.0 110.46 172.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.92 -42.82 97.28 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 119.105 0.866 . . . . 0.0 110.296 174.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -62.66 -45.77 91.29 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.151 0.58 . . . . 0.0 111.605 -178.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -26.33 64.76 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 119.205 0.911 . . . . 0.0 111.842 177.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -81.77 4.82 20.65 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.408 0.683 . . . . 0.0 112.297 169.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.6 mttt 50.04 32.86 6.15 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 126.635 1.974 . . . . 0.0 112.774 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.5 mt -78.52 165.66 23.48 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 123.804 0.842 . . . . 0.0 109.496 175.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -131.57 152.43 50.79 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.454 1.101 . . . . 0.0 108.765 174.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 137.21 -148.21 19.66 Favored Glycine 0 CA--C 1.529 0.966 0 CA-C-N 118.465 0.575 . . . . 0.0 111.769 -169.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 3.0 p90 -145.4 166.91 24.23 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -178.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 p -132.84 146.47 32.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 C-N-CA 125.326 1.45 . . . . 0.0 107.282 158.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.7 pttt -151.99 162.64 40.76 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 123.571 0.748 . . . . 0.0 111.815 177.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -63.58 127.5 31.64 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 157.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.6 ttp180 -83.77 146.84 27.94 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 168.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -57.29 -30.79 65.01 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -168.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -76.83 -15.58 59.68 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.596 1.158 . . . . 0.0 113.4 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.21 -10.72 17.34 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 125.313 1.435 . . . . 0.0 114.077 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.18 174.24 4.86 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 119.938 1.869 . . . . 0.0 109.868 170.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 66.6 t -99.41 143.1 13.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 106.138 -1.801 . . . . 0.0 106.138 166.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -122.94 135.39 54.47 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 170.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 24.1 mt -128.93 142.93 42.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 104.685 -2.339 . . . . 0.0 104.685 -174.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.2 tt -146.8 123.85 11.42 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 106.004 -1.851 . . . . 0.0 106.004 177.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.13 147.56 33.88 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 118.592 0.633 . . . . 0.0 111.031 -172.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -128.09 155.52 44.26 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 126.168 1.787 . . . . 0.0 109.556 173.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 154.63 -165.97 32.17 Favored Glycine 0 CA--C 1.53 0.97 0 CA-C-O 119.512 -0.605 . . . . 0.0 111.7 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.58 131.53 43.01 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 123.544 2.83 . . . . 0.0 111.008 172.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -56.89 -28.61 62.1 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.925 0.89 . . . . 0.0 113.4 -177.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -69.97 -34.82 73.87 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 120.902 -1.123 . . . . 0.0 111.813 173.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.44 -36.43 63.39 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.2 mp -59.51 -51.53 69.46 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-O 118.477 -0.773 . . . . 0.0 110.315 171.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -58.06 -45.23 87.42 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 119.903 1.228 . . . . 0.0 110.944 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.6 m -60.01 -37.75 80.61 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.027 0.441 . . . . 0.0 111.219 176.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -69.28 -31.24 69.61 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 117.188 -1.387 . . . . 0.0 111.236 175.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.9 t -62.68 -44.7 99.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-N 121.666 2.03 . . . . 0.0 108.747 169.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -58.35 -39.75 80.36 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.089 0.859 . . . . 0.0 110.364 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.57 -49.11 70.06 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 174.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.7 t -67.87 -47.34 79.7 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 C-N-CA 124.327 1.051 . . . . 0.0 110.558 -172.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 44.8 pttt -63.22 -26.24 68.7 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.772 0.715 . . . . 0.0 111.444 -174.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -65.19 -28.74 69.6 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.377 0.671 . . . . 0.0 111.667 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.43 -178.31 38.65 Favored Glycine 0 CA--C 1.528 0.888 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 -156.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 54.5 p -68.56 160.9 74.35 Favored Pre-proline 0 CA--C 1.538 0.505 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 160.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_exo -46.98 -19.23 0.74 Allowed 'Trans proline' 0 CA--C 1.543 0.974 0 C-N-CA 123.839 3.026 . . . . 0.0 115.554 161.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -97.98 -16.63 19.59 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.322 1.049 . . . . 0.0 112.228 179.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.7 m -79.36 173.99 12.02 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.159 1.384 . . . . 0.0 111.601 -177.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -140.09 94.99 2.82 Favored 'General case' 0 C--O 1.231 0.087 0 N-CA-C 106.027 -1.842 . . . . 0.0 106.027 158.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.3 t -62.07 137.17 24.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 167.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.6 p -117.14 -22.62 8.27 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.354 0.661 . . . . 0.0 110.89 175.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -159.3 149.89 19.47 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.253 1.021 . . . . 0.0 109.747 175.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 7.9 pt -131.47 159.52 43.0 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 C-N-CA 125.011 1.324 . . . . 0.0 109.025 171.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.9 m -140.73 156.01 46.3 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 125.214 1.405 . . . . 0.0 108.004 173.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 37.2 t -140.8 146.2 24.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-N 118.708 0.685 . . . . 0.0 109.597 -168.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.7 143.37 50.7 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 105.062 -2.199 . . . . 0.0 105.062 166.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -135.22 139.91 44.86 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 119.953 1.252 . . . . 0.0 108.258 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 70.9 m -149.81 137.25 19.9 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.089 0.956 . . . . 0.0 108.904 -173.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.4 ttp180 -86.67 52.87 2.63 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 169.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.5 m -138.91 103.8 4.9 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 -168.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.8 mp -73.78 149.57 41.64 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.569 0.748 . . . . 0.0 110.001 -173.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -87.6 -16.66 33.9 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.151 1.381 . . . . 0.0 111.021 170.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 60.33 25.86 63.24 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.688 1.137 . . . . 0.0 113.182 179.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -73.67 167.15 21.96 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.121 0.961 . . . . 0.0 109.668 175.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -128.13 12.01 6.56 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.512 1.125 . . . . 0.0 111.2 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -150.62 165.73 32.47 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 125.703 1.601 . . . . 0.0 107.908 176.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -92.38 153.97 18.83 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 154.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.1 m -133.27 149.73 51.94 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.411 0.684 . . . . 0.0 110.633 -171.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 33.2 mt -100.97 132.08 47.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 N-CA-C 103.712 -2.699 . . . . 0.0 103.712 157.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.3 p -141.3 177.18 3.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 -176.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -143.54 7.72 1.52 Allowed 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.873 0.869 . . . . 0.0 112.322 -173.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.7 m . . . . . 0 C--O 1.249 1.034 0 C-N-CA 124.993 1.317 . . . . 0.0 111.48 -173.26 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 mmt . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.814 0.34 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 43.9 tp -137.73 172.92 12.24 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.741 1.616 . . . . 0.0 107.641 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -148.36 151.68 35.74 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 125.579 1.552 . . . . 0.0 107.62 -177.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -146.33 168.38 21.25 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 123.237 0.615 . . . . 0.0 110.735 165.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -126.76 137.93 53.3 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 105.46 -2.052 . . . . 0.0 105.46 167.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.2 mt -134.39 142.7 40.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 -172.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.3 mm -120.12 143.03 33.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 N-CA-C 105.51 -2.033 . . . . 0.0 105.51 173.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.6 t -136.12 132.65 50.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 -177.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -119.08 153.79 34.21 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 126.188 1.795 . . . . 0.0 109.004 -176.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.85 -156.73 21.85 Favored Glycine 0 CA--C 1.522 0.529 0 C-N-CA 124.23 0.919 . . . . 0.0 111.61 173.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.8 ttp-105 -73.94 82.6 1.7 Allowed 'General case' 0 N--CA 1.462 0.133 0 N-CA-C 106.126 -1.805 . . . . 0.0 106.126 163.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.4 m -132.37 9.73 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 123.632 0.773 . . . . 0.0 111.298 -174.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -141.58 165.65 26.91 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.097 1.359 . . . . 0.0 107.547 167.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.82 -50.79 3.94 Favored Glycine 0 CA--C 1.529 0.943 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 -166.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.7 m -59.09 150.34 5.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 153.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.41 31.2 1.88 Allowed Glycine 0 CA--C 1.529 0.953 0 C-N-CA 124.256 0.931 . . . . 0.0 113.771 -172.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -59.96 -32.7 71.07 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 118.442 1.121 . . . . 0.0 112.306 -171.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -53.05 -46.15 68.37 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 119.085 0.857 . . . . 0.0 110.291 175.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -73.82 -36.93 65.01 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.246 0.618 . . . . 0.0 110.471 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -56.27 -51.58 67.63 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.814 0.734 . . . . 0.0 110.01 175.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.0 t -61.5 -41.27 89.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 123.26 0.624 . . . . 0.0 109.783 178.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.17 -49.01 75.22 Favored 'General case' 0 C--N 1.342 0.264 0 CA-C-N 118.829 0.741 . . . . 0.0 110.969 178.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 95.8 mtp -72.47 -37.67 68.42 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 122.719 0.408 . . . . 0.0 110.507 -174.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -68.49 -29.37 67.96 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.347 0.521 . . . . 0.0 111.739 178.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.13 -45.21 58.13 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 118.921 0.782 . . . . 0.0 110.54 171.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -64.97 -44.45 89.33 Favored 'General case' 0 C--O 1.231 0.117 0 C-N-CA 123.788 0.835 . . . . 0.0 111.595 -174.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -16.18 50.36 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 175.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 tpt85 -110.48 7.25 22.61 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.191 1.396 . . . . 0.0 111.282 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt 48.63 33.06 3.86 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.318 1.847 . . . . 0.0 112.911 -178.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.0 mt -73.94 165.83 24.44 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 169.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -139.41 151.01 45.93 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.088 0.955 . . . . 0.0 109.051 176.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 141.64 -150.64 22.1 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -167.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.2 p90 -140.54 165.2 28.1 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 118.332 1.066 . . . . 0.0 112.671 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.1 p -131.38 141.01 47.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 N-CA-C 106.347 -1.723 . . . . 0.0 106.347 158.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -153.74 156.7 38.26 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 121.551 0.691 . . . . 0.0 112.722 -176.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -62.66 146.51 51.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 114.565 -1.198 . . . . 0.0 109.551 169.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 -115.36 139.57 49.88 Favored 'General case' 0 N--CA 1.461 0.1 0 N-CA-C 106.416 -1.698 . . . . 0.0 106.416 156.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -58.88 -26.12 63.98 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.233 1.013 . . . . 0.0 112.669 -173.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -53.51 -32.94 52.57 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.628 1.571 . . . . 0.0 113.182 171.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.45 -28.72 6.15 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 125.524 1.535 . . . . 0.0 111.16 -173.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 45.7 mtm180 -57.85 165.24 1.83 Allowed 'General case' 0 C--O 1.234 0.276 0 CA-C-O 122.453 1.12 . . . . 0.0 111.775 170.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 83.4 t -114.29 147.63 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 171.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -116.98 141.23 48.5 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 171.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.5 mt -128.8 144.93 36.57 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 N-CA-C 104.907 -2.257 . . . . 0.0 104.907 175.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.7 tt -143.92 128.27 17.86 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 105.115 -2.179 . . . . 0.0 105.115 174.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -142.74 152.76 42.66 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 118.501 0.591 . . . . 0.0 110.08 -178.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -125.26 155.05 40.74 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 125.752 1.621 . . . . 0.0 109.332 164.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 158.63 -168.58 34.89 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 123.951 0.786 . . . . 0.0 111.676 177.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -56.9 144.68 87.84 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 123.526 2.817 . . . . 0.0 111.5 172.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -62.48 -34.9 77.76 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.517 0.727 . . . . 0.0 111.211 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -67.15 -47.16 71.87 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.006 -1.058 . . . . 0.0 110.933 176.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.51 -46.01 90.08 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 123.688 0.795 . . . . 0.0 110.384 178.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 43.7 mt -62.27 -40.83 97.51 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 118.325 -0.845 . . . . 0.0 110.95 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -62.25 -48.33 80.41 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 119.974 1.261 . . . . 0.0 111.031 176.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.6 p -58.86 -33.48 70.51 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 118.711 0.687 . . . . 0.0 111.356 175.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -71.29 -33.9 70.14 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 117.423 -1.275 . . . . 0.0 111.177 178.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.5 t -62.21 -44.71 99.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-N 121.134 1.788 . . . . 0.0 108.973 168.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -60.8 -34.44 74.51 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.085 0.857 . . . . 0.0 111.36 -178.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.88 -54.16 21.05 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.101 0.56 . . . . 0.0 110.766 171.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.2 t -60.75 -42.94 94.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 124.494 1.118 . . . . 0.0 111.086 -173.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -66.43 -19.73 65.87 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 119.073 0.851 . . . . 0.0 112.655 -175.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -72.25 -22.12 61.28 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.945 0.793 . . . . 0.0 111.528 172.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.77 -169.66 41.51 Favored Glycine 0 CA--C 1.533 1.216 0 N-CA-C 109.069 -1.612 . . . . 0.0 109.069 -156.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 96.8 p -70.04 162.86 66.05 Favored Pre-proline 0 CA--C 1.539 0.532 0 O-C-N 121.34 -1.094 . . . . 0.0 108.107 157.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_exo -47.88 -26.57 7.4 Favored 'Trans proline' 0 CA--C 1.542 0.905 0 C-N-CA 123.415 2.744 . . . . 0.0 114.624 164.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -87.15 -23.95 24.66 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.704 0.802 . . . . 0.0 111.955 178.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.3 m -71.59 171.28 11.72 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.868 0.867 . . . . 0.0 111.777 -177.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -138.41 98.28 3.56 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 105.548 -2.019 . . . . 0.0 105.548 160.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 68.5 t -64.26 135.35 28.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 N-CA-C 106.745 -1.576 . . . . 0.0 106.745 168.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 56.6 p -115.8 -21.51 9.56 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.605 0.762 . . . . 0.0 110.678 175.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -157.29 156.31 32.21 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 124.621 1.168 . . . . 0.0 108.929 170.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.8 tt -146.78 146.67 18.51 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 C-N-CA 125.624 1.57 . . . . 0.0 107.924 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.5 m -136.76 145.32 44.45 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 125.69 1.596 . . . . 0.0 107.912 -176.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 49.9 t -138.06 142.91 34.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 C-N-CA 124.292 1.037 . . . . 0.0 108.414 -174.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.0 m -137.55 112.53 9.04 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 105.976 -1.861 . . . . 0.0 105.976 171.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -69.66 157.34 37.44 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 169.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 75.2 m -156.09 162.57 40.25 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.814 1.246 . . . . 0.0 109.545 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.4 mtt85 -140.29 42.16 1.91 Allowed 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.195 1.398 . . . . 0.0 108.475 -177.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.7 m -136.37 60.19 1.68 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 126.927 2.091 . . . . 0.0 106.428 -171.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.6 mp -55.57 153.15 8.12 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.688 1.595 . . . . 0.0 113.057 -161.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -73.71 -37.35 65.19 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.101 1.36 . . . . 0.0 110.175 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 65.86 24.93 71.71 Favored Glycine 0 CA--C 1.535 1.336 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 -162.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.92 134.72 57.3 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 -175.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -81.47 -16.23 52.6 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -172.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -153.84 174.64 14.31 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 125.924 1.69 . . . . 0.0 108.698 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -89.56 142.91 27.24 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 162.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.3 m -137.76 164.43 28.91 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 119.28 0.945 . . . . 0.0 112.001 -170.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.6 mt -112.86 140.32 33.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 N-CA-C 105.463 -2.051 . . . . 0.0 105.463 170.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.0 t -131.41 156.58 42.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 173.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -127.73 34.65 4.61 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.221 1.008 . . . . 0.0 110.156 -167.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.8 m . . . . . 0 C--O 1.249 1.047 0 C-N-CA 126.486 1.914 . . . . 0.0 111.211 178.88 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.5 mtt . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 121.002 0.429 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -136.38 176.27 8.85 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 125.6 1.56 . . . . 0.0 108.555 -177.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -148.65 147.9 29.48 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 -178.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -141.85 170.5 15.59 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 123.282 0.633 . . . . 0.0 110.531 169.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -130.41 138.69 50.47 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 105.593 -2.003 . . . . 0.0 105.593 167.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.8 mt -132.47 140.23 48.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 106.17 -1.789 . . . . 0.0 106.17 -175.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.1 mm -125.39 135.12 64.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 N-CA-C 105.467 -2.049 . . . . 0.0 105.467 -174.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.4 t -133.73 135.11 55.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 -170.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -110.33 149.5 30.12 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 106.821 -1.548 . . . . 0.0 106.821 166.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.13 -174.38 36.89 Favored Glycine 0 N--CA 1.446 -0.642 0 CA-C-O 121.349 0.416 . . . . 0.0 112.556 176.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.6 ttp-105 -71.77 99.66 2.2 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 105.214 -2.143 . . . . 0.0 105.214 152.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.8 m -138.69 -28.66 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -177.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.3 mp0 -75.43 -56.85 4.31 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 120.165 1.348 . . . . 0.0 111.585 -172.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.17 -31.58 72.06 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.737 -0.545 . . . . 0.0 111.737 -172.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.6 m -73.74 -5.95 7.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 C-N-CA 125.07 1.348 . . . . 0.0 112.428 174.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.12 35.28 49.74 Favored Glycine 0 C--N 1.341 0.835 0 CA-C-N 119.066 0.848 . . . . 0.0 112.678 171.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -53.58 -34.67 59.2 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 118.332 1.066 . . . . 0.0 112.235 -178.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.7 ptt-85 -51.46 -37.42 48.75 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.552 -0.717 . . . . 0.0 112.83 175.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -72.39 -40.63 67.07 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 118.922 0.783 . . . . 0.0 109.948 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -60.11 -48.93 79.65 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 118.416 0.553 . . . . 0.0 110.018 176.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.1 t -52.77 -52.81 24.7 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 C-N-CA 124.009 0.924 . . . . 0.0 109.198 175.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -59.71 -45.51 91.9 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 118.237 0.471 . . . . 0.0 111.374 -176.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.8 mtt -74.88 -34.65 62.24 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.788 -0.57 . . . . 0.0 110.766 -172.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -73.9 -24.63 59.72 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.544 -0.723 . . . . 0.0 111.4 174.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.48 -46.94 62.78 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 119.194 0.906 . . . . 0.0 109.618 169.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -63.33 -39.16 93.77 Favored 'General case' 0 N--CA 1.458 -0.051 0 C-N-CA 124.283 1.033 . . . . 0.0 111.654 -176.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -21.99 66.88 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 118.915 0.779 . . . . 0.0 112.081 176.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.5 mmm-85 -98.06 4.7 49.21 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.323 1.049 . . . . 0.0 112.072 172.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt 48.99 33.96 5.1 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.976 1.711 . . . . 0.0 112.551 -173.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.4 mt -69.76 165.35 21.6 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 169.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.62 149.09 51.53 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 124.645 1.178 . . . . 0.0 108.335 175.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 160.03 -163.68 33.9 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 120.712 -0.756 . . . . 0.0 114.686 -169.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 1.4 p90 -135.78 163.14 30.87 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 123.963 0.905 . . . . 0.0 111.335 173.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.6 p -137.14 141.84 39.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 165.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -154.12 153.02 31.11 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 123.194 0.598 . . . . 0.0 111.338 177.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -68.2 156.42 37.61 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 163.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 57.7 mtp85 -122.94 146.96 47.14 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 170.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -60.84 -27.96 68.47 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.02 0.928 . . . . 0.0 112.772 -172.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -65.45 -15.97 63.17 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.185 0.994 . . . . 0.0 112.876 177.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.77 -1.27 41.9 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 125.073 1.32 . . . . 0.0 112.175 -177.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -74.63 171.05 14.56 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 118.192 0.996 . . . . 0.0 109.772 170.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.2 t -118.88 148.93 21.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 104.939 -2.245 . . . . 0.0 104.939 159.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -123.61 141.58 51.87 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 125.072 1.349 . . . . 0.0 107.939 177.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.7 mt -128.09 143.13 41.86 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 N-CA-C 104.079 -2.563 . . . . 0.0 104.079 178.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.3 tt -140.95 128.65 21.55 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 105.001 -2.222 . . . . 0.0 105.001 173.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -141.97 153.57 44.4 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 118.613 0.642 . . . . 0.0 110.319 -174.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -130.82 142.5 50.39 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 126.884 2.074 . . . . 0.0 107.63 175.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 170.19 -173.43 44.2 Favored Glycine 0 CA--C 1.527 0.811 0 CA-C-O 119.685 -0.508 . . . . 0.0 112.05 176.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -68.88 152.22 73.71 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 C-N-CA 122.425 2.083 . . . . 0.0 109.934 171.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -60.48 -39.77 88.89 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.119 0.568 . . . . 0.0 111.727 -170.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -61.84 -44.14 97.44 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 119.116 0.871 . . . . 0.0 111.414 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.34 -43.63 90.27 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.2 mt -62.03 -47.02 86.59 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 118.794 -0.622 . . . . 0.0 110.754 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -63.05 -44.88 94.63 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.703 1.138 . . . . 0.0 110.83 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.6 m -59.2 -37.62 77.88 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.214 0.531 . . . . 0.0 110.352 175.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -70.89 -29.74 65.9 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-O 117.12 -1.419 . . . . 0.0 111.696 176.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.3 t -62.92 -44.22 99.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 CA-C-N 121.51 1.959 . . . . 0.0 108.703 167.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.44 -34.98 74.76 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.005 0.82 . . . . 0.0 111.148 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.21 -54.49 20.61 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.287 0.494 . . . . 0.0 111.548 170.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.1 t -60.5 -42.98 93.33 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 124.736 1.215 . . . . 0.0 111.225 -172.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -64.28 -19.84 65.68 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.775 0.716 . . . . 0.0 112.507 -174.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -70.28 -27.24 64.26 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.48 0.582 . . . . 0.0 111.892 174.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.44 -174.41 38.51 Favored Glycine 0 CA--C 1.536 1.392 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -154.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.0 m -63.56 157.95 62.23 Favored Pre-proline 0 CA--C 1.54 0.584 0 O-C-N 121.15 -1.206 . . . . 0.0 108.016 157.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_exo -47.17 -34.04 16.93 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 123.199 2.599 . . . . 0.0 113.947 165.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -80.44 -19.69 45.52 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.115 0.966 . . . . 0.0 113.161 178.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.4 m -71.29 172.81 8.68 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 123.853 0.861 . . . . 0.0 112.006 -177.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -139.37 95.56 2.95 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 162.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 97.7 t -62.52 135.44 26.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 170.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.0 p -115.95 -23.82 8.39 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.074 0.95 . . . . 0.0 110.822 177.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -159.09 150.91 20.74 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.624 1.17 . . . . 0.0 108.868 172.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.4 tt -143.85 144.09 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 C-N-CA 124.674 1.19 . . . . 0.0 108.804 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 44.2 m -142.14 159.81 41.49 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.167 1.787 . . . . 0.0 109.126 -177.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.7 t -139.12 147.88 24.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 124.196 0.998 . . . . 0.0 109.423 -169.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -127.69 145.08 51.01 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 127.373 2.269 . . . . 0.0 105.053 166.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -127.22 139.72 52.73 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.4 m -150.87 165.86 32.34 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.063 0.545 . . . . 0.0 110.613 -159.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 83.0 mtt85 -137.1 25.25 3.0 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.742 1.217 . . . . 0.0 109.284 168.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.7 m -85.95 58.0 4.8 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.581 1.952 . . . . 0.0 107.887 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 37.5 mt -51.65 140.72 18.05 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.344 1.458 . . . . 0.0 112.712 -159.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -72.31 -35.02 68.54 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.715 1.206 . . . . 0.0 109.5 172.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 61.14 15.95 46.29 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 124.222 0.915 . . . . 0.0 112.947 -173.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -77.7 169.62 17.99 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.731 1.212 . . . . 0.0 110.374 -178.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 31.7 p-80 -128.87 10.22 5.94 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.329 1.452 . . . . 0.0 111.522 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -147.71 170.78 16.82 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 125.615 1.566 . . . . 0.0 108.875 -174.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.01 145.06 48.5 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.1 m -129.68 153.43 48.15 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.428 0.691 . . . . 0.0 110.862 -168.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 9.8 mt -115.54 133.28 62.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 N-CA-C 105.142 -2.17 . . . . 0.0 105.142 172.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.7 t -132.47 143.88 38.52 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 -176.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -149.18 5.33 0.64 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.622 0.769 . . . . 0.0 113.003 -171.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 C--O 1.248 0.985 0 C-N-CA 125.764 1.625 . . . . 0.0 107.709 178.736 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.8 mmm . . . . . 0 N--CA 1.485 1.3 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 32.9 tp -145.95 172.44 13.37 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.388 1.475 . . . . 0.0 107.315 169.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -149.23 141.41 24.01 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 126.268 1.827 . . . . 0.0 107.315 -174.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -142.88 167.88 21.02 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 123.38 0.672 . . . . 0.0 111.093 171.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -126.51 140.16 52.67 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 105.771 -1.937 . . . . 0.0 105.771 166.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.7 mt -133.35 139.67 48.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 17.2 mm -112.89 143.55 22.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 N-CA-C 105.248 -2.13 . . . . 0.0 105.248 174.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.5 t -138.07 137.48 44.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 -174.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -137.54 154.62 49.79 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 125.592 1.557 . . . . 0.0 109.402 -176.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.89 -157.01 23.16 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 125.552 1.549 . . . . 0.0 109.977 -175.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -72.62 84.72 1.16 Allowed 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 106.421 -1.696 . . . . 0.0 106.421 160.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.6 m -135.52 6.83 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 123.44 0.696 . . . . 0.0 111.635 -173.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -134.13 163.91 28.53 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 166.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.81 -50.7 3.92 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -167.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.4 m -60.03 150.21 6.45 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 156.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.25 37.21 2.19 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 124.341 0.972 . . . . 0.0 113.166 -173.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -59.67 -34.34 72.72 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.328 1.064 . . . . 0.0 112.348 -170.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 46.7 mtm-85 -53.09 -45.4 68.19 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.146 0.885 . . . . 0.0 111.189 173.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -70.87 -37.1 73.06 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 119.064 -0.493 . . . . 0.0 110.334 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -58.28 -53.39 58.78 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.88 0.763 . . . . 0.0 110.152 175.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.7 t -58.8 -40.23 79.27 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 123.169 0.587 . . . . 0.0 109.595 178.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -56.85 -49.68 74.72 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-N 118.435 0.562 . . . . 0.0 111.164 177.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.9 mtt -72.15 -37.21 69.45 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 122.453 0.301 . . . . 0.0 110.393 -173.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -70.74 -25.76 63.06 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.332 0.514 . . . . 0.0 111.802 177.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.05 -44.36 48.15 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 119.233 0.924 . . . . 0.0 110.259 170.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -65.54 -42.64 91.69 Favored 'General case' 0 C--O 1.231 0.109 0 C-N-CA 124.329 1.052 . . . . 0.0 111.554 -174.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -21.9 61.37 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.509 0.595 . . . . 0.0 111.99 175.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -108.47 7.3 26.83 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.83 1.252 . . . . 0.0 111.295 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt 44.91 36.7 2.0 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.417 1.887 . . . . 0.0 112.863 -176.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.7 mt -70.54 165.39 22.8 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 171.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.55 147.23 52.21 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 123.827 0.851 . . . . 0.0 109.267 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 139.98 -150.61 21.6 Favored Glycine 0 CA--C 1.531 1.091 0 N-CA-C 112.191 -0.363 . . . . 0.0 112.191 -169.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 13.1 p90 -149.81 167.14 27.39 Favored 'General case' 0 C--O 1.235 0.298 0 O-C-N 121.912 -0.758 . . . . 0.0 112.668 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.3 p -130.91 137.39 56.02 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 106.951 -1.5 . . . . 0.0 106.951 162.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -147.95 162.94 38.3 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 124.589 1.155 . . . . 0.0 110.996 -170.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -67.98 159.1 31.35 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 162.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.8 ttm-85 -120.42 141.26 50.3 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 106.249 -1.76 . . . . 0.0 106.249 164.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -56.28 -31.5 63.69 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.301 1.04 . . . . 0.0 113.446 -169.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -61.61 -23.72 66.21 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.087 0.955 . . . . 0.0 112.78 175.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.1 0.77 14.52 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 126.512 2.006 . . . . 0.0 112.795 177.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -85.01 175.96 8.72 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 118.899 1.349 . . . . 0.0 109.376 -178.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.8 t -101.04 147.56 7.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 165.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -133.44 136.53 45.25 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 106.39 -1.707 . . . . 0.0 106.39 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.1 mt -131.22 143.83 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 104.483 -2.414 . . . . 0.0 104.483 -173.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.8 tt -142.08 125.97 17.15 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 105.475 -2.046 . . . . 0.0 105.475 175.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -141.59 152.41 44.0 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.132 0.573 . . . . 0.0 109.552 -175.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -133.28 154.18 50.91 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 125.321 1.448 . . . . 0.0 108.97 169.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.95 -171.31 38.71 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-O 119.661 -0.522 . . . . 0.0 112.094 -178.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -55.58 146.66 63.26 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 123.835 3.023 . . . . 0.0 111.405 167.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.52 -32.91 74.56 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.751 -0.593 . . . . 0.0 112.349 -176.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -70.21 -43.46 70.61 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.359 0.982 . . . . 0.0 110.463 177.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.11 -45.89 91.45 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.265 0.626 . . . . 0.0 109.771 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.3 mt -64.0 -44.51 92.41 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 118.348 -0.834 . . . . 0.0 111.47 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -63.66 -42.72 98.05 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 120.267 1.394 . . . . 0.0 110.935 178.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.6 m -58.56 -38.9 78.81 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.046 0.451 . . . . 0.0 110.137 174.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -70.41 -29.85 66.57 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 117.52 -1.229 . . . . 0.0 111.582 177.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.0 t -62.44 -45.16 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-N 121.239 1.836 . . . . 0.0 108.593 168.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -60.36 -37.63 81.31 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.823 0.738 . . . . 0.0 110.928 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.07 -49.52 69.72 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.027 0.376 . . . . 0.0 111.341 173.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.1 t -65.32 -46.36 90.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 C-N-CA 124.283 1.033 . . . . 0.0 111.019 -174.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -64.52 -23.46 67.28 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 119.079 0.854 . . . . 0.0 111.999 -173.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -66.08 -28.66 68.99 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.39 0.541 . . . . 0.0 111.549 174.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.54 -177.23 37.44 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 -156.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 98.3 p -67.02 159.81 74.18 Favored Pre-proline 0 CA--C 1.537 0.46 0 C-N-CA 118.855 -1.138 . . . . 0.0 108.217 159.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_exo -47.11 -27.5 6.36 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 123.447 2.765 . . . . 0.0 114.545 163.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -82.55 -27.08 31.84 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.537 0.735 . . . . 0.0 111.884 176.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.6 m -71.61 171.04 12.16 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.863 0.865 . . . . 0.0 111.428 -178.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -142.32 88.32 2.08 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 105.941 -1.874 . . . . 0.0 105.941 166.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 70.7 t -62.58 135.94 26.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 174.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.8 p -110.59 -27.04 9.14 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.182 0.993 . . . . 0.0 110.457 173.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -159.27 149.0 18.75 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 123.952 0.901 . . . . 0.0 110.125 -178.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 10.1 pt -131.25 160.81 42.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 125.129 1.372 . . . . 0.0 109.342 170.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.3 m -141.67 157.83 44.58 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.499 1.52 . . . . 0.0 108.211 174.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 40.1 t -139.48 146.89 24.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 C-N-CA 123.636 0.774 . . . . 0.0 109.651 -170.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -131.21 148.43 52.7 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 127.144 2.178 . . . . 0.0 105.368 167.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -132.96 151.73 52.02 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 119.596 1.089 . . . . 0.0 108.234 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 55.0 m -160.68 168.88 23.96 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.3 1.04 . . . . 0.0 109.886 -175.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -140.66 63.79 1.45 Allowed 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 165.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.4 m -134.83 61.98 1.66 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 127.631 2.372 . . . . 0.0 105.298 -176.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -53.43 149.56 7.55 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 126.531 1.932 . . . . 0.0 113.202 -154.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -70.26 -29.8 66.68 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.466 1.106 . . . . 0.0 109.747 170.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 58.89 31.18 67.6 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.047 0.832 . . . . 0.0 112.093 -177.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -85.03 167.94 15.36 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.939 1.296 . . . . 0.0 109.811 -178.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -130.14 10.71 5.42 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.486 1.115 . . . . 0.0 111.441 -178.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -147.75 161.46 41.18 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 125.036 1.335 . . . . 0.0 108.985 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -100.65 156.23 17.43 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 166.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -138.64 158.62 43.89 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 122.883 0.473 . . . . 0.0 111.853 -168.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 40.5 mt -115.42 143.35 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 106.634 -1.617 . . . . 0.0 106.634 168.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -134.03 160.66 41.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 N-CA-C 106.874 -1.528 . . . . 0.0 106.874 167.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -130.18 10.94 5.42 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.714 -0.617 . . . . 0.0 112.519 -167.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.4 m . . . . . 0 C--O 1.248 1.003 0 C-N-CA 124.893 1.277 . . . . 0.0 108.341 -176.109 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.482 1.127 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 33.9 tp -149.02 -179.95 7.41 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.718 2.007 . . . . 0.0 107.232 176.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -145.83 148.79 33.27 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 126.526 1.93 . . . . 0.0 107.119 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -145.46 168.11 21.34 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 123.414 0.685 . . . . 0.0 111.295 169.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -129.31 139.14 51.86 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 105.732 -1.951 . . . . 0.0 105.732 165.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.2 mt -134.14 144.58 34.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 106.601 -1.629 . . . . 0.0 106.601 -173.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 14.8 mm -124.78 142.97 39.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 N-CA-C 105.633 -1.988 . . . . 0.0 105.633 177.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.0 t -136.62 139.72 44.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 -176.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -124.14 155.93 37.58 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 125.776 1.63 . . . . 0.0 108.682 177.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.17 -159.57 24.07 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 124.581 1.086 . . . . 0.0 110.979 173.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.3 ttp-105 -73.0 79.59 1.19 Allowed 'General case' 0 C--O 1.227 -0.12 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 159.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.9 m -129.3 4.54 2.62 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 C-N-CA 124.538 1.135 . . . . 0.0 110.064 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -139.64 156.68 46.7 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.844 2.058 . . . . 0.0 105.628 172.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.91 15.18 73.81 Favored Glycine 0 CA--C 1.539 1.534 0 N-CA-C 111.76 -0.536 . . . . 0.0 111.76 -160.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.1 m -142.55 160.13 19.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 128.154 2.581 . . . . 0.0 105.484 174.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.36 24.2 1.43 Allowed Glycine 0 CA--C 1.532 1.103 0 C-N-CA 123.903 0.764 . . . . 0.0 114.286 -172.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -60.51 -35.61 76.37 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 118.825 1.313 . . . . 0.0 112.433 -171.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.0 mtt85 -59.43 -39.59 84.02 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.529 1.059 . . . . 0.0 110.417 178.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -71.91 -37.17 70.12 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 119.023 -0.513 . . . . 0.0 110.7 176.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -56.61 -52.39 65.03 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 118.934 0.788 . . . . 0.0 109.755 175.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.03 -42.88 91.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 123.812 0.845 . . . . 0.0 109.864 177.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -56.07 -49.12 74.69 Favored 'General case' 0 C--N 1.34 0.19 0 CA-C-N 118.689 0.677 . . . . 0.0 110.892 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.4 mmm -75.85 -34.71 60.08 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 119.436 -0.316 . . . . 0.0 110.42 -173.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -67.26 -31.1 71.2 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.407 0.549 . . . . 0.0 111.49 175.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.7 -44.49 64.11 Favored 'General case' 0 CA--C 1.528 0.114 0 CA-C-N 119.14 0.882 . . . . 0.0 110.484 172.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -65.92 -43.07 89.17 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 123.559 0.744 . . . . 0.0 111.797 -175.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.67 -18.0 63.53 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.009 0.822 . . . . 0.0 112.207 175.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.2 tpt85 -105.27 3.68 30.24 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.938 1.295 . . . . 0.0 111.377 177.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm 41.66 42.21 1.98 Allowed 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 127.181 2.193 . . . . 0.0 112.811 -174.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 79.5 mt -73.44 165.25 25.41 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 166.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.24 146.54 51.13 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 124.155 0.982 . . . . 0.0 109.206 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 142.99 -154.24 25.24 Favored Glycine 0 CA--C 1.533 1.171 0 CA-C-N 118.044 0.384 . . . . 0.0 112.49 -170.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 7.7 p90 -140.96 164.54 29.99 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 118.047 0.924 . . . . 0.0 112.726 -178.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 p -132.04 143.77 39.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 159.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -156.36 161.07 40.18 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 123.011 0.524 . . . . 0.0 112.036 -174.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -64.68 146.87 54.09 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 158.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.2 ttt85 -124.23 133.18 53.59 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 171.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -60.39 -22.39 63.28 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.034 1.334 . . . . 0.0 113.568 -168.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -56.55 -24.69 48.76 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.394 1.078 . . . . 0.0 112.581 172.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.14 20.68 3.63 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 125.662 1.601 . . . . 0.0 111.805 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.1 mmp_? -123.3 175.26 6.81 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 118.256 1.028 . . . . 0.0 109.539 -162.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.8 t -99.72 146.0 9.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 105.13 -2.174 . . . . 0.0 105.13 159.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -122.96 139.81 53.68 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 106.268 -1.753 . . . . 0.0 106.268 171.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.1 mt -130.56 144.96 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 N-CA-C 104.743 -2.318 . . . . 0.0 104.743 178.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.9 tt -142.61 128.28 19.22 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 104.71 -2.33 . . . . 0.0 104.71 176.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -142.03 153.28 44.12 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.257 0.551 . . . . 0.0 109.847 -176.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -143.4 139.16 29.84 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 126.239 1.816 . . . . 0.0 106.753 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 159.82 -167.5 35.33 Favored Glycine 0 CA--C 1.526 0.74 0 CA-C-O 119.327 -0.707 . . . . 0.0 111.677 -177.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -52.78 136.74 59.62 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 123.206 2.604 . . . . 0.0 111.032 172.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -61.0 -33.56 73.44 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.787 -0.571 . . . . 0.0 111.763 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -65.36 -43.66 90.11 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.111 0.869 . . . . 0.0 111.265 175.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.9 -43.16 99.54 Favored 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 123.003 0.521 . . . . 0.0 109.814 176.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 54.2 mt -63.55 -46.0 87.95 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-O 118.423 -0.799 . . . . 0.0 110.942 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -60.5 -43.72 96.75 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 120.179 1.354 . . . . 0.0 110.64 177.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.2 m -58.06 -39.56 78.79 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.033 0.444 . . . . 0.0 110.499 174.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -69.9 -33.86 72.76 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 117.313 -1.327 . . . . 0.0 111.428 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.0 t -62.02 -45.07 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-N 121.283 1.856 . . . . 0.0 108.889 169.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.76 -34.64 74.76 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.879 0.763 . . . . 0.0 111.221 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.8 -52.94 31.19 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.236 0.471 . . . . 0.0 111.321 171.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 19.2 t -61.11 -42.97 95.3 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 C-N-CA 124.715 1.206 . . . . 0.0 111.044 -173.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -65.03 -18.65 65.48 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.986 0.812 . . . . 0.0 112.839 -175.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -67.72 -27.17 66.58 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.864 0.756 . . . . 0.0 111.597 172.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.6 -174.2 35.94 Favored Glycine 0 CA--C 1.533 1.173 0 N-CA-C 109.086 -1.606 . . . . 0.0 109.086 -153.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 95.9 p -68.05 162.58 58.46 Favored Pre-proline 0 CA--C 1.537 0.457 0 O-C-N 120.895 -1.356 . . . . 0.0 107.627 157.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -58.06 -17.13 29.97 Favored 'Trans proline' 0 CA--C 1.544 1.009 0 C-N-CA 122.162 1.908 . . . . 0.0 113.391 167.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -85.82 -23.46 27.16 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.26 0.936 . . . . 0.0 111.898 173.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.3 m -74.61 172.61 11.74 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.936 0.894 . . . . 0.0 112.015 -177.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -139.29 101.72 4.32 Favored 'General case' 0 C--O 1.231 0.094 0 N-CA-C 105.36 -2.089 . . . . 0.0 105.36 158.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 66.6 t -64.01 135.94 27.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 167.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 69.1 p -115.62 -22.74 9.07 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.37 0.668 . . . . 0.0 110.756 174.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -156.61 154.47 30.24 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 124.443 1.097 . . . . 0.0 109.034 172.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.4 tt -147.73 146.21 18.28 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 C-N-CA 125.585 1.554 . . . . 0.0 107.963 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.9 m -138.3 147.2 43.32 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 125.796 1.638 . . . . 0.0 108.197 -176.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.0 t -138.3 143.68 32.23 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 124.231 1.012 . . . . 0.0 108.443 -173.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.2 m -137.39 112.25 8.93 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 105.894 -1.891 . . . . 0.0 105.894 171.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -71.18 160.9 32.01 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 168.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 63.5 m -156.6 164.09 38.59 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 124.818 1.247 . . . . 0.0 109.309 176.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 50.5 ttm-85 -140.32 58.94 1.57 Allowed 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 174.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.5 m -134.68 55.53 1.89 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 127.06 2.144 . . . . 0.0 106.326 178.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.6 mp -52.17 147.53 7.47 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 126.775 2.03 . . . . 0.0 113.103 -156.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -64.71 -33.79 76.8 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.661 1.184 . . . . 0.0 112.104 -176.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.98 14.04 54.62 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 123.79 0.71 . . . . 0.0 112.709 -173.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -79.48 166.21 22.22 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.714 1.206 . . . . 0.0 109.784 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -135.56 19.59 3.33 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.347 1.059 . . . . 0.0 111.248 -178.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -151.95 162.22 41.42 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 124.776 1.231 . . . . 0.0 109.117 176.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -106.12 152.89 22.84 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 170.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.1 m -138.28 156.28 47.8 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.105 0.562 . . . . 0.0 111.686 -174.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.3 mt -104.24 136.29 38.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 104.516 -2.402 . . . . 0.0 104.516 162.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 39.9 t -132.58 153.74 38.66 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 -176.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -136.79 9.76 3.09 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.346 0.658 . . . . 0.0 112.486 -164.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.8 m . . . . . 0 C--O 1.248 0.996 0 C-N-CA 125.211 1.404 . . . . 0.0 108.127 -173.99 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.0 mtt . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.786 0.327 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -143.33 177.82 8.16 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.728 1.611 . . . . 0.0 108.364 -178.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -152.9 154.93 36.06 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.124 1.369 . . . . 0.0 107.593 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -148.2 166.29 28.35 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 121.774 -0.579 . . . . 0.0 110.448 165.147 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 34.9 ttm-85 -115.1 140.73 48.82 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 105.645 -1.983 . . . . 0.0 105.645 160.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.0 mt -132.13 139.89 49.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 106.553 -1.647 . . . . 0.0 106.553 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.4 mm -117.45 141.3 36.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 N-CA-C 105.145 -2.169 . . . . 0.0 105.145 173.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.6 t -136.23 138.8 46.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 -176.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -136.76 153.16 50.92 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 125.192 1.397 . . . . 0.0 109.317 -171.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.15 -154.49 21.22 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 -178.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.6 ttp-105 -74.25 82.39 1.85 Allowed 'General case' 0 N--CA 1.461 0.077 0 N-CA-C 106.234 -1.765 . . . . 0.0 106.234 162.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.5 m -130.65 9.55 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 C-N-CA 123.65 0.78 . . . . 0.0 111.175 -174.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -134.37 149.88 50.87 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 173.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.5 18.44 79.4 Favored Glycine 0 CA--C 1.534 1.267 0 CA-C-O 119.693 -0.504 . . . . 0.0 112.699 -169.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.9 m -136.82 21.94 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 125.796 1.638 . . . . 0.0 110.749 -174.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 69.2 10.92 63.22 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 124.379 0.99 . . . . 0.0 114.158 175.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -63.2 -36.54 83.99 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.959 1.38 . . . . 0.0 112.655 -166.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.5 mtm180 -58.79 -40.57 84.43 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.927 1.24 . . . . 0.0 110.824 176.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -69.18 -39.22 78.85 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 118.259 0.482 . . . . 0.0 110.302 177.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -57.48 -52.87 63.62 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.718 0.69 . . . . 0.0 109.896 175.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.6 t -58.79 -41.13 81.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 C-N-CA 123.553 0.741 . . . . 0.0 109.743 178.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -56.89 -49.95 73.98 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 118.723 0.692 . . . . 0.0 110.968 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 96.8 mtp -72.11 -37.11 69.58 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 122.626 0.37 . . . . 0.0 110.481 -173.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -71.61 -28.03 63.52 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 118.426 0.557 . . . . 0.0 111.73 177.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.43 -44.56 64.61 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 119.207 0.912 . . . . 0.0 110.042 171.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -64.79 -43.97 91.49 Favored 'General case' 0 C--O 1.231 0.088 0 C-N-CA 123.903 0.881 . . . . 0.0 111.471 -175.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -25.2 66.93 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 118.623 0.647 . . . . 0.0 111.646 176.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.0 tpt85 -99.8 6.72 45.38 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.44 1.096 . . . . 0.0 111.674 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt 48.6 34.18 4.78 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.533 1.933 . . . . 0.0 112.922 -178.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 80.4 mt -73.8 165.56 24.9 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 121.828 -0.545 . . . . 0.0 109.545 172.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.69 147.15 50.73 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 124.14 0.976 . . . . 0.0 108.751 175.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 145.03 -156.43 26.93 Favored Glycine 0 CA--C 1.529 0.941 0 CA-C-N 117.948 0.34 . . . . 0.0 112.389 -169.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 1.8 p90 -143.25 167.29 22.48 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 117.82 0.81 . . . . 0.0 112.802 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.5 p -135.7 141.41 42.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 159.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -152.82 170.76 19.52 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.789 1.236 . . . . 0.0 111.435 -178.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -64.81 157.43 27.71 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.452 0.701 . . . . 0.0 109.719 162.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.0 ttt85 -124.64 133.05 53.37 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 163.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -61.26 -25.33 67.01 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.548 1.139 . . . . 0.0 113.538 -164.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -61.46 -19.71 62.32 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.664 0.785 . . . . 0.0 112.546 175.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.64 28.79 1.68 Allowed Glycine 0 CA--C 1.529 0.925 0 C-N-CA 125.295 1.426 . . . . 0.0 112.324 173.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -124.94 -179.69 4.65 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 118.495 1.148 . . . . 0.0 109.503 -169.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.8 t -108.65 147.3 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 106.182 -1.784 . . . . 0.0 106.182 165.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -133.83 134.23 42.56 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.49 1.516 . . . . 0.0 107.055 -177.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 17.8 mt -130.9 146.48 33.91 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 N-CA-C 104.778 -2.305 . . . . 0.0 104.778 -172.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.1 tt -143.68 129.19 19.08 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 105.19 -2.152 . . . . 0.0 105.19 174.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -141.4 154.27 45.52 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.17 0.588 . . . . 0.0 109.894 -176.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -142.04 141.19 32.79 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 126.588 1.955 . . . . 0.0 107.103 178.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 161.95 -168.82 37.17 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-O 119.627 -0.541 . . . . 0.0 112.144 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -54.16 146.02 51.25 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 123.587 2.858 . . . . 0.0 111.86 171.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -59.77 -45.07 93.41 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.022 0.529 . . . . 0.0 110.575 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -62.86 -43.71 98.08 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.949 -0.469 . . . . 0.0 111.294 -178.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.98 -45.83 91.42 Favored 'General case' 0 C--N 1.34 0.157 0 C-N-CA 123.195 0.598 . . . . 0.0 110.401 175.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.2 mt -63.14 -40.53 97.84 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 118.32 -0.848 . . . . 0.0 110.982 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -63.51 -46.89 84.0 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 120.173 1.351 . . . . 0.0 110.903 177.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.8 m -57.6 -36.58 71.94 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.411 0.55 . . . . 0.0 110.915 174.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -70.51 -32.83 70.48 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 117.369 -1.3 . . . . 0.0 111.671 178.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.92 -45.23 99.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-N 121.257 1.844 . . . . 0.0 108.763 169.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.85 -34.44 74.59 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.673 0.67 . . . . 0.0 111.434 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.7 -53.19 29.62 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 122.908 0.483 . . . . 0.0 110.955 171.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.1 t -61.22 -43.66 96.88 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 C-N-CA 124.457 1.103 . . . . 0.0 110.939 -173.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -64.39 -18.54 64.79 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 119.032 0.833 . . . . 0.0 112.926 -176.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -69.32 -23.49 63.8 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.071 0.85 . . . . 0.0 111.835 174.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.57 -170.04 43.42 Favored Glycine 0 CA--C 1.534 1.231 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 -157.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 97.7 p -69.75 162.51 67.27 Favored Pre-proline 0 CA--C 1.539 0.544 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 157.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_exo -48.25 -25.54 7.14 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 123.493 2.795 . . . . 0.0 114.569 164.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -90.84 -18.86 24.13 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.066 0.946 . . . . 0.0 112.148 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.0 m -73.5 170.83 14.32 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.894 0.878 . . . . 0.0 112.007 -179.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -137.73 97.94 3.55 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 105.383 -2.08 . . . . 0.0 105.383 159.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.8 t -63.79 135.47 27.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 168.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.4 p -119.24 -18.78 8.55 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.845 0.858 . . . . 0.0 110.673 174.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -155.66 153.48 30.08 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 124.156 0.982 . . . . 0.0 109.456 171.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.2 tt -147.46 147.25 17.61 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 C-N-CA 125.809 1.644 . . . . 0.0 107.763 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.3 m -138.75 146.31 41.28 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 125.682 1.593 . . . . 0.0 108.037 -175.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 49.0 t -136.56 142.4 38.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 -173.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.6 m -136.63 92.78 2.79 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 177.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -63.61 139.67 58.79 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 173.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.7 m -145.41 165.97 26.98 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.683 1.593 . . . . 0.0 108.926 -170.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -144.81 22.29 1.6 Allowed 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.259 -0.901 . . . . 0.0 112.684 174.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.4 m -87.76 62.89 7.21 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 106.89 -1.522 . . . . 0.0 106.89 173.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.8 mt -52.09 144.45 12.16 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.305 1.442 . . . . 0.0 112.837 -158.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -63.22 -36.63 84.28 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.451 1.1 . . . . 0.0 112.033 -173.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.03 11.73 39.8 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 123.925 0.774 . . . . 0.0 112.984 -173.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -76.59 167.17 22.3 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.843 1.257 . . . . 0.0 109.532 178.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -128.21 10.28 6.3 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.185 0.994 . . . . 0.0 111.55 -178.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -147.2 166.32 27.37 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 124.698 1.199 . . . . 0.0 109.416 174.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -100.0 153.57 19.09 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 165.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.9 m -138.98 148.69 43.82 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.077 0.853 . . . . 0.0 112.623 -173.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 42.2 mt -90.84 130.69 39.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 N-CA-C 104.571 -2.381 . . . . 0.0 104.571 164.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 97.8 t -132.2 156.12 42.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 -174.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -151.84 4.87 0.42 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.26 1.424 . . . . 0.0 111.977 -176.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 C--O 1.249 1.057 0 C-N-CA 125.491 1.516 . . . . 0.0 110.919 -179.142 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.486 1.329 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 56.2 mt -135.35 172.06 13.55 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 125.347 1.459 . . . . 0.0 108.379 177.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -134.95 148.39 50.02 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 126.324 1.85 . . . . 0.0 107.094 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -142.63 167.68 21.52 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.486 0.66 . . . . 0.0 111.112 162.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 25.2 ttt180 -126.03 134.63 51.37 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 104.963 -2.236 . . . . 0.0 104.963 166.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.1 mt -131.6 139.5 50.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 -173.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.9 mm -121.32 142.1 38.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 105.716 -1.957 . . . . 0.0 105.716 177.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.1 t -137.54 146.11 28.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -170.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -140.22 150.83 44.61 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 125.866 1.666 . . . . 0.0 108.993 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 139.17 -156.12 24.29 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.701 -0.959 . . . . 0.0 110.701 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -72.94 87.47 1.33 Allowed 'General case' 0 N--CA 1.462 0.142 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 164.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.7 m -129.32 15.75 2.58 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 124.767 1.227 . . . . 0.0 110.718 178.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.6 mp0 -137.81 161.86 35.47 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 126.389 1.876 . . . . 0.0 107.075 164.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.7 13.25 71.53 Favored Glycine 0 CA--C 1.537 1.407 0 N-CA-C 111.698 -0.561 . . . . 0.0 111.698 -165.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.4 m -146.83 154.35 12.09 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 128.055 2.542 . . . . 0.0 105.815 -178.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.37 36.12 2.21 Favored Glycine 0 CA--C 1.528 0.879 0 C-N-CA 123.83 0.729 . . . . 0.0 113.407 -171.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -63.19 -34.31 77.36 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.946 1.373 . . . . 0.0 112.41 -168.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.416 ' NH2' ' H ' ' A' ' 36' ' ' ASN . 56.3 mtt-85 -54.53 -48.69 71.67 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.106 0.866 . . . . 0.0 110.368 173.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -67.76 -41.34 83.49 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.347 0.659 . . . . 0.0 110.371 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -56.59 -54.13 49.55 Favored 'General case' 0 C--N 1.341 0.213 0 C-N-CA 123.024 0.53 . . . . 0.0 109.895 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.9 t -60.94 -41.45 88.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 123.5 0.72 . . . . 0.0 109.811 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.418 HE22 ' C ' ' A' ' 87' ' ' SER . 1.7 tp-100 -56.16 -50.12 72.04 Favored 'General case' 0 C--N 1.342 0.262 0 CA-C-N 118.754 0.706 . . . . 0.0 110.789 179.11 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.2 mmt -78.17 -32.81 50.35 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 119.2 -0.428 . . . . 0.0 110.778 -172.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -67.18 -31.98 72.76 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.696 0.68 . . . . 0.0 111.315 174.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.12 -45.8 62.91 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 119.026 0.83 . . . . 0.0 110.506 172.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -64.43 -44.23 91.82 Favored 'General case' 0 C--O 1.23 0.07 0 C-N-CA 123.613 0.765 . . . . 0.0 111.517 -174.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -18.29 64.83 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.727 -0.608 . . . . 0.0 112.211 177.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -104.37 10.82 35.24 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.649 1.18 . . . . 0.0 111.186 176.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.4 mttm 49.56 33.93 6.4 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.927 2.091 . . . . 0.0 113.195 178.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.6 mt -75.38 165.56 24.95 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 171.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -134.15 150.42 51.11 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.553 1.141 . . . . 0.0 108.434 172.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 144.24 -150.98 23.06 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -167.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 3.9 p90 -146.38 166.98 24.72 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 118.436 1.118 . . . . 0.0 113.275 179.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.2 p -131.99 140.76 47.2 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 C-N-CA 124.372 1.069 . . . . 0.0 108.146 160.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 44.4 pttt -152.93 150.51 29.34 Favored 'General case' 0 CA--C 1.523 -0.07 0 C-N-CA 124.191 0.996 . . . . 0.0 109.319 175.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.416 ' H ' ' NH2' ' A' ' 18' ' ' ARG . 2.9 p-10 -70.71 149.03 47.36 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 161.234 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -88.51 149.42 23.64 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 164.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -61.55 -29.63 70.13 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 122.932 0.493 . . . . 0.0 111.392 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -31.93 66.64 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.355 1.462 . . . . 0.0 112.914 173.238 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.04 -20.57 9.14 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-N 118.961 0.8 . . . . 0.0 113.24 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.83 171.08 2.28 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 119.428 1.614 . . . . 0.0 109.43 165.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.5 t -119.67 148.64 22.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 106.498 -1.667 . . . . 0.0 106.498 173.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -124.71 138.95 54.26 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 125.473 1.509 . . . . 0.0 107.511 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.5 mt -130.88 141.77 45.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 N-CA-C 104.421 -2.437 . . . . 0.0 104.421 176.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.0 tt -142.67 126.94 17.59 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 105.119 -2.178 . . . . 0.0 105.119 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -143.7 152.15 40.95 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 118.656 0.662 . . . . 0.0 110.412 -173.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -142.71 144.43 32.69 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 125.993 1.717 . . . . 0.0 108.193 177.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 158.47 -164.88 33.72 Favored Glycine 0 CA--C 1.533 1.187 0 CA-C-O 119.657 -0.524 . . . . 0.0 112.444 -175.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -56.21 137.84 81.13 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 124.164 3.243 . . . . 0.0 111.939 173.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -59.82 -32.2 70.43 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.243 -0.911 . . . . 0.0 112.644 -175.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -73.39 -27.46 61.48 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.35 -0.844 . . . . 0.0 111.498 176.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.83 -40.46 61.04 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 178.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.9 mp -58.48 -48.98 78.99 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 118.89 -0.576 . . . . 0.0 110.569 172.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -61.49 -46.48 89.84 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.285 0.948 . . . . 0.0 111.193 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.7 m -55.79 -40.44 72.68 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 121.32 0.581 . . . . 0.0 110.535 175.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -72.64 -30.06 63.99 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-O 117.0 -1.476 . . . . 0.0 111.543 -178.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.7 t -64.18 -44.28 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 121.652 2.023 . . . . 0.0 108.583 168.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -59.99 -34.0 72.72 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.246 0.93 . . . . 0.0 111.171 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.34 -56.0 10.07 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 122.866 0.466 . . . . 0.0 111.375 170.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.1 t -60.55 -42.3 90.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 124.755 1.222 . . . . 0.0 111.16 -172.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -64.54 -21.73 66.77 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.759 0.709 . . . . 0.0 112.364 -175.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -71.47 -28.84 64.22 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.602 0.637 . . . . 0.0 111.366 173.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.9 -176.94 35.71 Favored Glycine 0 CA--C 1.534 1.23 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 -155.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.82 157.17 61.56 Favored Pre-proline 0 CA--C 1.541 0.631 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 158.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -46.21 -34.9 14.4 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 123.436 2.757 . . . . 0.0 114.461 168.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -79.17 -26.92 42.66 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.752 0.821 . . . . 0.0 112.761 176.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.0 m -71.23 173.18 8.05 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.599 1.159 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -145.56 99.07 3.23 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 106.088 -1.819 . . . . 0.0 106.088 167.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 67.8 t -65.22 135.14 28.77 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 167.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.1 p -120.01 -18.88 8.04 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.812 0.845 . . . . 0.0 110.774 175.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -153.8 149.52 27.5 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 124.503 1.121 . . . . 0.0 109.059 170.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.1 tt -147.36 145.21 19.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 125.504 1.522 . . . . 0.0 107.733 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 67.4 m -136.7 149.93 48.17 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 126.188 1.795 . . . . 0.0 108.229 -178.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.9 t -140.77 145.02 26.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 124.186 0.994 . . . . 0.0 108.679 -171.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.1 m -134.55 119.77 18.84 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 105.584 -2.006 . . . . 0.0 105.584 165.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -103.11 154.64 19.08 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 123.885 0.874 . . . . 0.0 109.362 177.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.1 m -164.73 175.19 9.92 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.334 1.454 . . . . 0.0 109.918 -171.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -122.33 23.9 9.57 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.469 1.108 . . . . 0.0 109.761 170.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.7 m -82.47 70.0 9.34 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 125.721 1.608 . . . . 0.0 107.027 175.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 23.2 mt -63.45 138.01 58.36 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.23 -165.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -74.01 -39.0 63.9 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 122.993 0.517 . . . . 0.0 111.63 -172.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 62.17 27.71 69.51 Favored Glycine 0 CA--C 1.536 1.363 0 N-CA-C 111.729 -0.548 . . . . 0.0 111.729 -167.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -65.78 146.31 54.93 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 117.881 0.84 . . . . 0.0 109.535 -176.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -70.79 -29.11 65.2 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -172.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -158.48 177.71 10.94 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 126.157 1.783 . . . . 0.0 108.328 -175.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -86.37 141.08 29.45 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 160.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.418 ' C ' HE22 ' A' ' 22' ' ' GLN . 45.3 m -134.24 152.74 51.98 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 119.616 1.098 . . . . 0.0 112.431 -170.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 26.0 mt -94.59 125.36 47.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 104.403 -2.443 . . . . 0.0 104.403 167.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 73.5 t -130.25 157.24 42.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 123.915 0.886 . . . . 0.0 108.752 -169.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -137.91 -3.16 1.84 Allowed 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.927 1.291 . . . . 0.0 111.849 -178.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.1 m . . . . . 0 C--O 1.249 1.044 0 C-N-CA 125.298 1.439 . . . . 0.0 110.551 -178.506 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 mmt . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.83 0.348 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -142.08 175.16 9.96 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 125.737 1.615 . . . . 0.0 108.083 177.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -152.75 149.98 28.93 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 123.335 0.654 . . . . 0.0 109.385 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -144.59 169.83 17.22 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 123.438 0.695 . . . . 0.0 111.181 169.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -128.33 137.41 51.92 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 105.769 -1.938 . . . . 0.0 105.769 168.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.7 mt -134.22 136.68 52.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 -177.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.6 mp -117.55 140.12 41.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 N-CA-C 104.961 -2.237 . . . . 0.0 104.961 176.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.7 t -136.85 139.38 44.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 N-CA-C 107.316 -1.365 . . . . 0.0 107.316 -170.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -141.27 152.93 44.92 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 125.108 1.363 . . . . 0.0 109.442 -176.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.95 -156.81 22.71 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 109.419 -1.472 . . . . 0.0 109.419 -174.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -72.07 82.56 0.97 Allowed 'General case' 0 C--O 1.227 -0.129 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 164.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.5 m -132.48 -14.73 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 124.774 1.23 . . . . 0.0 111.014 173.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -98.53 -28.05 13.76 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 121.182 -0.949 . . . . 0.0 111.274 -178.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.48 11.29 61.69 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 124.144 0.878 . . . . 0.0 112.457 176.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.0 m -141.92 163.72 19.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 C-N-CA 127.213 2.205 . . . . 0.0 106.808 -177.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.51 35.55 2.02 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 124.121 0.867 . . . . 0.0 113.617 -173.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -56.1 -37.14 68.97 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 118.941 1.371 . . . . 0.0 112.257 -171.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.4 mtm-85 -58.86 -35.41 72.92 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.213 -0.929 . . . . 0.0 111.396 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -72.5 -39.71 67.42 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.539 0.609 . . . . 0.0 110.626 175.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -57.0 -50.06 73.88 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.843 0.747 . . . . 0.0 109.711 175.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.2 t -58.48 -43.0 85.9 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 123.894 0.878 . . . . 0.0 109.848 177.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.409 HE22 ' C ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -56.38 -51.18 69.29 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-N 119.444 1.02 . . . . 0.0 110.611 178.125 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 77.1 mtm -70.67 -37.85 73.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 119.516 -0.278 . . . . 0.0 110.589 -173.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -68.3 -33.0 73.54 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.328 0.513 . . . . 0.0 111.573 178.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.38 -44.17 68.58 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 118.75 0.705 . . . . 0.0 110.561 173.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -65.39 -45.01 85.71 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 123.838 0.855 . . . . 0.0 111.357 -175.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -15.84 62.8 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 121.729 -0.607 . . . . 0.0 112.452 176.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -107.18 12.0 28.82 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.776 1.23 . . . . 0.0 111.155 175.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt 49.66 34.74 7.61 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.937 2.095 . . . . 0.0 113.367 177.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.1 mt -75.46 168.15 20.55 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 121.909 -0.494 . . . . 0.0 109.726 172.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -137.67 151.88 48.72 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 124.414 1.085 . . . . 0.0 109.145 173.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 140.88 -149.01 20.67 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -173.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 3.7 p90 -137.28 163.08 31.8 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -178.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.1 p -131.75 139.46 50.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 N-CA-C 106.333 -1.728 . . . . 0.0 106.333 159.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -153.29 162.08 41.68 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 122.951 0.5 . . . . 0.0 112.064 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -64.93 130.05 41.97 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 159.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.2 ttt85 -88.81 154.95 19.85 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 174.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -58.36 -32.76 68.86 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.287 0.635 . . . . 0.0 112.689 -175.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -68.27 -17.82 64.38 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.945 0.898 . . . . 0.0 112.862 177.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.81 3.56 52.22 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.238 1.399 . . . . 0.0 112.931 -178.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -81.04 175.19 10.89 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 118.99 1.395 . . . . 0.0 109.098 171.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.2 t -96.3 145.6 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 106.391 -1.707 . . . . 0.0 106.391 166.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -128.18 141.82 51.36 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 125.857 1.663 . . . . 0.0 107.223 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 27.8 mt -131.66 140.75 47.44 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 N-CA-C 104.32 -2.474 . . . . 0.0 104.32 -177.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.8 tt -144.18 119.96 10.54 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 105.523 -2.029 . . . . 0.0 105.523 174.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -141.05 141.97 34.23 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 121.284 0.564 . . . . 0.0 111.021 -173.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -110.68 144.4 39.67 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 128.191 2.596 . . . . 0.0 107.359 174.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 169.85 -174.43 44.05 Favored Glycine 0 CA--C 1.527 0.812 0 CA-C-O 119.615 -0.547 . . . . 0.0 112.461 172.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -69.89 153.88 67.84 Favored 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 122.282 1.988 . . . . 0.0 110.108 172.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -57.65 -46.94 83.55 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.548 0.739 . . . . 0.0 111.62 -168.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -74.0 -29.19 61.83 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 119.18 0.9 . . . . 0.0 112.42 -174.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.89 -45.23 90.28 Favored 'General case' 0 CA--C 1.527 0.091 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 171.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 51.7 mt -62.65 -42.79 99.8 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 118.421 -0.8 . . . . 0.0 110.832 177.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -57.89 -49.76 75.63 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 119.885 1.22 . . . . 0.0 110.411 175.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.2 m -56.51 -40.2 74.6 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.064 0.546 . . . . 0.0 110.105 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -70.6 -32.43 69.8 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-O 117.17 -1.395 . . . . 0.0 111.507 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.69 -45.07 99.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-N 121.597 1.998 . . . . 0.0 109.02 169.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -59.36 -38.3 80.08 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.924 0.784 . . . . 0.0 110.565 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.54 -50.97 61.4 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.054 0.542 . . . . 0.0 111.335 173.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.7 t -64.16 -44.06 97.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 124.176 0.99 . . . . 0.0 110.823 -173.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.1 pttt -65.41 -24.34 67.18 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 119.118 0.872 . . . . 0.0 112.307 -175.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -67.79 -27.55 66.84 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.338 0.517 . . . . 0.0 111.389 173.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.37 -175.65 36.07 Favored Glycine 0 CA--C 1.534 1.233 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 -155.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 91.1 p -66.14 161.59 54.9 Favored Pre-proline 0 CA--C 1.539 0.528 0 O-C-N 121.054 -1.262 . . . . 0.0 108.355 161.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_exo -46.95 -27.16 5.55 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 123.458 2.772 . . . . 0.0 114.62 163.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -85.29 -24.25 27.79 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.64 0.776 . . . . 0.0 111.937 177.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.9 m -73.32 171.66 12.64 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.832 0.853 . . . . 0.0 112.257 -176.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -141.79 98.47 3.35 Favored 'General case' 0 C--N 1.334 -0.073 0 N-CA-C 105.704 -1.961 . . . . 0.0 105.704 159.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.4 t -64.71 135.68 27.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 107.1 -1.444 . . . . 0.0 107.1 169.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.5 p -120.28 -17.81 8.15 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.883 0.873 . . . . 0.0 110.926 174.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -153.26 146.93 25.11 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.317 1.047 . . . . 0.0 109.14 171.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.0 tt -147.41 142.55 19.94 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 125.463 1.505 . . . . 0.0 107.519 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.2 m -138.71 154.62 48.59 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 125.498 1.519 . . . . 0.0 108.819 -178.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 50.8 t -137.0 146.14 28.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 C-N-CA 124.265 1.026 . . . . 0.0 109.099 -169.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -134.34 153.1 52.07 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 127.602 2.361 . . . . 0.0 105.568 171.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -127.2 152.45 47.35 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.662 1.119 . . . . 0.0 108.882 -177.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.1 p -148.26 165.65 30.35 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.967 0.907 . . . . 0.0 110.189 -177.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 49.0 mtm105 -136.37 47.4 2.2 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 105.953 -1.869 . . . . 0.0 105.953 176.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.7 m -134.66 36.96 3.11 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.401 -152.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.6 mp -24.17 109.88 0.03 OUTLIER 'General case' 0 C--O 1.235 0.327 0 C-N-CA 129.977 3.311 . . . . 0.0 112.79 -170.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -56.8 -33.31 66.56 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.505 1.122 . . . . 0.0 111.331 176.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 61.24 28.06 68.56 Favored Glycine 0 CA--C 1.532 1.129 0 C-N-CA 124.174 0.892 . . . . 0.0 111.95 -174.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -65.96 150.72 48.19 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.535 0.734 . . . . 0.0 110.254 -174.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -67.84 -30.22 69.55 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.37 0.508 . . . . 0.0 112.37 -174.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -159.34 -175.24 5.1 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 126.108 1.763 . . . . 0.0 107.906 -177.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -93.43 129.47 39.59 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 117.371 -1.3 . . . . 0.0 107.563 164.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.409 ' C ' HE22 ' A' ' 22' ' ' GLN . 27.1 m -132.57 143.85 49.99 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 120.113 1.324 . . . . 0.0 113.043 -170.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 8.9 mt -80.3 137.08 22.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 N-CA-C 105.577 -2.009 . . . . 0.0 105.577 168.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 47.5 t -133.55 143.53 38.62 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 -178.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -148.64 6.49 0.73 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.389 1.076 . . . . 0.0 111.967 -177.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.5 m . . . . . 0 C--O 1.251 1.18 0 C-N-CA 125.582 1.553 . . . . 0.0 110.899 -179.676 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 mmt . . . . . 0 N--CA 1.485 1.321 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 59.8 mt -137.18 177.06 8.16 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 125.232 1.413 . . . . 0.0 108.374 175.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -139.33 153.03 47.65 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 125.479 1.511 . . . . 0.0 108.05 175.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -141.18 166.29 25.19 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 122.796 0.438 . . . . 0.0 110.61 161.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.5 ttm-85 -121.75 139.34 53.71 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 105.73 -1.952 . . . . 0.0 105.73 163.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.3 mt -132.98 136.81 54.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 105.963 -1.866 . . . . 0.0 105.963 -177.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.1 mm -110.66 141.24 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 174.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.8 t -136.54 137.24 47.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 -175.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -139.18 152.23 47.22 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 125.141 1.376 . . . . 0.0 108.68 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 138.91 -156.39 24.29 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 -174.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -74.2 77.26 1.79 Allowed 'General case' 0 C--O 1.232 0.157 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 167.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.7 m -134.82 -0.31 1.14 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 124.468 1.107 . . . . 0.0 111.387 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -124.58 -23.93 4.3 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.991 0.916 . . . . 0.0 111.849 -174.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.17 5.38 77.0 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 123.593 0.616 . . . . 0.0 111.972 166.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.9 m -142.91 161.91 17.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 C-N-CA 127.023 2.129 . . . . 0.0 107.424 -176.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.47 41.46 2.68 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 124.63 1.11 . . . . 0.0 113.627 -171.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -52.65 -37.81 59.22 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 118.872 1.336 . . . . 0.0 112.19 -174.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.4 mtm-85 -53.83 -37.16 63.3 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.519 0.728 . . . . 0.0 111.805 177.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -69.49 -43.2 73.65 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 119.255 0.934 . . . . 0.0 110.709 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -59.87 -46.26 89.88 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-N 118.716 0.689 . . . . 0.0 110.103 177.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.4 t -59.29 -43.74 90.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 123.063 0.545 . . . . 0.0 109.938 175.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -56.14 -47.71 77.65 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 118.717 0.69 . . . . 0.0 110.689 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 36.7 mmt -74.05 -36.24 64.35 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 122.456 0.302 . . . . 0.0 110.626 -173.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -68.96 -30.43 68.87 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.463 0.574 . . . . 0.0 111.656 176.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.42 -43.76 63.39 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 118.975 0.807 . . . . 0.0 110.369 172.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -64.73 -40.93 96.16 Favored 'General case' 0 C--O 1.229 0.021 0 C-N-CA 123.821 0.848 . . . . 0.0 111.565 -176.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -15.82 63.94 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.171 0.896 . . . . 0.0 112.547 176.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.7 mmm-85 -100.8 0.14 38.16 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.02 0.928 . . . . 0.0 111.917 170.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt 42.3 43.43 2.96 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.279 1.832 . . . . 0.0 112.136 -169.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.58 166.83 14.15 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 164.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -132.51 152.22 51.64 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 123.957 0.903 . . . . 0.0 108.922 175.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 137.88 -153.49 22.23 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.652 -0.579 . . . . 0.0 111.652 -169.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.0 p90 -138.47 163.75 31.14 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 117.945 0.872 . . . . 0.0 112.446 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.3 p -128.1 143.24 41.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 154.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -153.19 161.6 42.25 Favored 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 123.094 0.558 . . . . 0.0 111.97 -176.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -65.9 127.96 34.12 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 156.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 44.9 ttt85 -88.93 155.1 19.72 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 172.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -58.11 -32.49 68.17 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.659 0.784 . . . . 0.0 112.934 -174.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -67.24 -17.86 64.98 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.951 0.901 . . . . 0.0 112.869 176.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.87 1.63 56.18 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 125.104 1.335 . . . . 0.0 112.521 -177.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -78.71 175.32 10.54 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 119.248 1.524 . . . . 0.0 108.953 170.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.0 t -95.62 144.76 9.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 105.619 -1.993 . . . . 0.0 105.619 166.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -123.11 137.7 54.85 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 106.944 -1.502 . . . . 0.0 106.944 172.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.6 mt -119.92 142.07 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.675 0 N-CA-C 104.213 -2.514 . . . . 0.0 104.213 173.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.7 tt -142.95 121.92 12.8 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 104.97 -2.233 . . . . 0.0 104.97 173.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -138.76 148.38 43.79 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.039 0.535 . . . . 0.0 109.805 -175.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -124.39 153.25 42.16 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 125.525 1.53 . . . . 0.0 108.78 169.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.67 -170.21 36.55 Favored Glycine 0 CA--C 1.528 0.903 0 CA-C-O 119.758 -0.468 . . . . 0.0 112.543 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -56.48 149.32 57.77 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 124.022 3.148 . . . . 0.0 111.639 170.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -59.71 -44.57 93.64 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.1 0.56 . . . . 0.0 110.869 -179.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -62.64 -42.8 99.8 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 118.507 0.594 . . . . 0.0 111.275 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.32 -45.34 88.32 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 122.685 0.394 . . . . 0.0 110.084 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.0 mt -62.81 -47.12 84.82 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.378 0.671 . . . . 0.0 110.571 178.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -61.22 -45.32 95.06 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.287 0.949 . . . . 0.0 110.552 179.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.6 m -59.7 -36.66 76.96 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.585 0.354 . . . . 0.0 110.723 176.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -71.58 -32.15 67.75 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 117.807 -1.092 . . . . 0.0 111.411 178.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.2 t -62.46 -44.67 99.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-N 120.944 1.702 . . . . 0.0 109.153 168.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -61.0 -35.06 75.85 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 118.53 0.604 . . . . 0.0 111.193 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.49 -53.98 34.84 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.994 0.518 . . . . 0.0 110.709 171.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 38.3 t -60.52 -42.93 93.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 124.146 0.979 . . . . 0.0 111.03 -174.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -67.03 -14.47 62.93 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.188 0.903 . . . . 0.0 112.852 -177.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -64.15 -27.83 69.35 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 119.469 1.031 . . . . 0.0 111.178 170.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.83 -128.65 8.97 Favored Glycine 0 C--N 1.336 0.537 0 N-CA-C 105.461 -3.055 . . . . 0.0 105.461 -151.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 68.0 m -154.32 169.23 10.4 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 172.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_exo -47.49 -22.69 2.92 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 123.591 2.861 . . . . 0.0 115.071 170.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -134.74 32.91 3.24 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.187 1.395 . . . . 0.0 111.105 176.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.7 m -151.34 150.84 30.96 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 120.321 -1.487 . . . . 0.0 110.151 172.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -133.97 103.23 5.73 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 -177.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.5 p -61.63 138.12 22.68 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 161.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.8 p -123.77 -13.73 7.37 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.24 1.016 . . . . 0.0 110.798 170.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -151.45 144.15 24.36 Favored 'General case' 0 C--N 1.342 0.241 0 C-N-CA 124.605 1.162 . . . . 0.0 109.271 171.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 19.2 tt -143.57 146.33 21.3 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 125.2 1.4 . . . . 0.0 108.32 -176.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.9 m -139.11 151.65 46.86 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 125.516 1.526 . . . . 0.0 108.33 177.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 50.3 t -140.82 145.47 25.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 124.267 1.027 . . . . 0.0 109.059 -172.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.3 m -134.96 129.74 34.7 Favored 'General case' 0 CA--C 1.528 0.127 0 N-CA-C 105.805 -1.924 . . . . 0.0 105.805 160.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.09 149.09 26.14 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 172.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.78 137.35 25.04 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 -163.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.5 51.2 2.05 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 174.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.8 m -143.43 82.7 1.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 125.023 1.329 . . . . 0.0 108.092 -158.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.0 mp -62.78 145.86 53.89 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.21 0.604 . . . . 0.0 109.885 -179.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -84.81 -24.89 28.47 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.703 1.201 . . . . 0.0 110.831 171.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 64.54 29.31 74.8 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 123.911 0.767 . . . . 0.0 112.629 -177.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.77 168.85 17.94 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.011 0.905 . . . . 0.0 109.696 171.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 58.9 m80 -125.99 0.55 7.26 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.172 0.989 . . . . 0.0 112.211 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -150.08 168.94 22.45 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 125.481 1.512 . . . . 0.0 108.435 172.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -91.78 148.29 22.35 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 162.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.1 m -137.95 159.2 42.64 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 118.993 0.815 . . . . 0.0 111.79 -172.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 24.3 mt -104.34 134.15 46.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 104.359 -2.46 . . . . 0.0 104.359 166.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 52.0 t -133.09 146.02 33.15 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 -175.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -149.21 7.11 0.69 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.488 1.115 . . . . 0.0 111.953 -176.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.7 m . . . . . 0 C--O 1.25 1.107 0 C-N-CA 125.506 1.523 . . . . 0.0 110.883 -179.872 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.9 mtt . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 121.095 0.474 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 63.9 tp -135.17 166.74 22.39 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.33 1.852 . . . . 0.0 107.591 -173.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -139.05 151.59 46.89 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 124.643 1.177 . . . . 0.0 108.429 177.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -141.23 167.18 22.81 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.356 0.598 . . . . 0.0 110.988 165.098 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.7 ttt180 -126.91 134.67 50.4 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 105.42 -2.067 . . . . 0.0 105.42 168.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.4 mt -132.81 141.84 43.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 106.487 -1.671 . . . . 0.0 106.487 -176.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.6 mm -122.01 142.55 37.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 105.527 -2.027 . . . . 0.0 105.527 174.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.1 t -131.2 121.56 49.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 -177.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -99.61 135.85 40.42 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 126.166 1.786 . . . . 0.0 107.093 174.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.49 -174.28 38.86 Favored Glycine 0 C--N 1.334 0.447 0 CA-C-N 118.434 0.561 . . . . 0.0 113.003 -179.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -70.17 100.89 1.75 Allowed 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 104.979 -2.23 . . . . 0.0 104.979 153.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.3 m -141.89 -29.01 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -178.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -79.58 -51.84 8.77 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 120.803 -1.186 . . . . 0.0 111.207 -170.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.76 -32.07 70.42 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.82 -0.512 . . . . 0.0 111.82 -175.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.2 m -73.66 -6.68 8.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 124.581 1.152 . . . . 0.0 112.182 174.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.65 35.29 62.52 Favored Glycine 0 C--N 1.34 0.778 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.259 174.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -49.68 -39.32 36.2 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 118.48 1.14 . . . . 0.0 111.6 -179.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.2 ptt-85 -50.21 -33.62 20.05 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 177.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -72.38 -41.0 66.82 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 119.9 1.227 . . . . 0.0 110.149 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -61.18 -46.58 89.89 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 174.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.4 t -57.83 -43.96 85.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 123.295 0.638 . . . . 0.0 109.893 176.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -56.8 -49.94 73.84 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-N 118.612 0.642 . . . . 0.0 110.393 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 64.9 mtt -70.38 -37.96 74.65 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.735 -0.212 . . . . 0.0 110.509 -174.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -68.94 -32.75 72.58 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.213 0.46 . . . . 0.0 111.618 178.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.6 -45.07 69.44 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 118.836 0.744 . . . . 0.0 110.33 172.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -64.22 -45.48 88.04 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 123.836 0.855 . . . . 0.0 111.329 -175.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -21.39 66.54 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 118.558 0.617 . . . . 0.0 112.213 177.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.0 tpt85 -100.33 8.78 43.46 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.212 1.005 . . . . 0.0 111.388 176.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.4 mttt 49.01 35.07 6.25 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.741 2.016 . . . . 0.0 113.155 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.7 mt -73.4 165.42 25.11 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 170.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -134.09 148.11 50.97 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.196 0.998 . . . . 0.0 109.155 176.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 139.17 -151.46 21.82 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 -168.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 16.6 p90 -142.38 166.34 24.94 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 118.148 0.974 . . . . 0.0 112.995 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.1 p -129.17 147.17 33.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 159.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -147.7 155.73 42.04 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.813 0.845 . . . . 0.0 111.073 -177.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -71.92 163.9 27.03 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 161.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 71.9 mtp85 -123.13 144.46 49.31 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 166.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -62.23 -31.08 71.58 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 122.984 0.514 . . . . 0.0 111.533 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -68.55 -10.5 56.11 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.297 1.039 . . . . 0.0 113.521 176.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.75 -15.89 26.29 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 124.397 0.998 . . . . 0.0 113.194 173.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 -70.74 173.79 6.81 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 118.753 1.276 . . . . 0.0 111.25 175.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.1 t -116.55 148.83 19.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 105.067 -2.197 . . . . 0.0 105.067 162.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -131.87 140.72 49.19 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 -177.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.5 mt -135.03 140.28 45.57 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 N-CA-C 104.417 -2.438 . . . . 0.0 104.417 -169.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.9 tt -145.47 119.82 9.61 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 105.156 -2.165 . . . . 0.0 105.156 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -140.85 146.74 37.93 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 122.867 0.467 . . . . 0.0 110.311 -170.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -123.94 142.06 51.48 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 127.497 2.319 . . . . 0.0 106.898 176.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 171.27 -171.75 44.12 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.764 -0.534 . . . . 0.0 111.764 176.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -69.31 151.03 71.64 Favored 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 122.31 2.007 . . . . 0.0 109.726 169.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -59.42 -38.57 80.98 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.407 0.683 . . . . 0.0 111.522 -173.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -63.9 -43.88 94.67 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 119.075 0.852 . . . . 0.0 111.69 -178.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.0 -44.52 92.41 Favored 'General case' 0 C--N 1.339 0.126 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 176.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.1 mt -62.28 -45.48 93.07 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 118.868 -0.587 . . . . 0.0 110.843 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -63.86 -43.65 95.47 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 119.754 1.161 . . . . 0.0 110.713 178.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.6 m -57.57 -39.59 77.08 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.201 0.524 . . . . 0.0 110.383 174.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -70.33 -31.34 68.6 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 117.249 -1.358 . . . . 0.0 111.577 178.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.3 t -62.3 -45.22 99.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 121.448 1.931 . . . . 0.0 108.828 168.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -60.85 -35.72 77.3 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.732 0.696 . . . . 0.0 111.061 -179.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.28 -51.72 54.61 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.204 0.457 . . . . 0.0 111.345 171.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.1 t -63.47 -42.64 96.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 124.342 1.057 . . . . 0.0 111.106 -172.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -64.08 -18.83 64.76 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 119.288 0.949 . . . . 0.0 112.835 -175.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -67.42 -27.43 67.06 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.651 0.659 . . . . 0.0 111.77 173.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.22 -172.9 33.31 Favored Glycine 0 CA--C 1.534 1.264 0 N-CA-C 109.295 -1.522 . . . . 0.0 109.295 -154.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 80.1 p -67.42 162.16 58.56 Favored Pre-proline 0 CA--C 1.539 0.551 0 O-C-N 120.766 -1.432 . . . . 0.0 108.251 160.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.3 -2.39 1.3 Allowed 'Trans proline' 0 CA--C 1.546 1.084 0 C-N-CA 123.163 2.575 . . . . 0.0 114.546 167.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -113.84 -11.51 12.85 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.98 1.312 . . . . 0.0 111.675 174.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.6 m -72.99 171.16 13.35 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.79 0.836 . . . . 0.0 111.335 177.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -139.08 94.52 2.82 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 105.467 -2.049 . . . . 0.0 105.467 165.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.4 t -64.96 133.5 30.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 172.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.2 p -116.82 -20.32 9.51 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.803 1.241 . . . . 0.0 111.01 176.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -159.08 160.78 36.15 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 119.29 0.95 . . . . 0.0 109.429 164.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.8 tt -142.92 145.87 22.45 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 C-N-CA 125.365 1.466 . . . . 0.0 108.042 177.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.5 m -138.0 146.75 43.48 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 125.494 1.518 . . . . 0.0 108.186 -174.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.1 t -140.77 145.41 25.52 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 C-N-CA 124.144 0.978 . . . . 0.0 109.107 -172.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.3 m -132.97 139.27 47.2 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 105.62 -1.992 . . . . 0.0 105.62 162.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -119.26 142.02 48.44 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.71 134.0 20.63 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 -164.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 97.1 mtt-85 -86.44 53.99 3.0 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 168.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.8 m -138.18 96.17 3.14 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 -165.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.31 144.78 49.83 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -173.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -87.0 -19.63 28.42 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.705 1.202 . . . . 0.0 110.722 169.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 65.12 16.26 61.91 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.461 1.029 . . . . 0.0 112.903 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -72.32 162.97 28.74 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.119 0.968 . . . . 0.0 110.174 178.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -131.64 9.93 4.69 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.491 1.116 . . . . 0.0 111.451 -179.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -148.37 165.24 31.67 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 125.283 1.433 . . . . 0.0 108.114 174.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -96.45 150.75 20.26 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 162.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 55.0 m -137.53 161.35 36.62 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.648 0.779 . . . . 0.0 111.621 -175.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 30.5 mt -109.66 136.52 45.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 N-CA-C 105.114 -2.18 . . . . 0.0 105.114 166.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 95.5 t -133.94 152.25 34.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 -172.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -136.06 9.68 3.27 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.827 0.851 . . . . 0.0 112.245 -175.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.1 m . . . . . 0 C--O 1.252 1.195 0 C-N-CA 124.656 1.182 . . . . 0.0 110.528 176.54 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 80.7 mmm . . . . . 0 N--CA 1.482 1.128 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 62.2 tp -150.8 166.64 29.89 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.163 1.385 . . . . 0.0 108.394 -169.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -137.04 151.73 49.27 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.856 1.263 . . . . 0.0 107.962 176.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -140.57 164.28 30.59 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.134 0.493 . . . . 0.0 110.699 161.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.4 ttm-85 -115.11 140.29 49.19 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 105.554 -2.017 . . . . 0.0 105.554 160.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.8 mt -131.65 137.33 55.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 23.0 mm -113.57 141.6 28.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 105.358 -2.09 . . . . 0.0 105.358 175.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.7 t -136.82 139.62 44.41 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 -177.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -141.02 153.67 45.64 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 125.092 1.357 . . . . 0.0 109.657 -174.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.75 -156.34 22.06 Favored Glycine 0 CA--C 1.523 0.575 0 C-N-CA 125.586 1.565 . . . . 0.0 109.442 -175.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.5 ttt85 -72.1 83.6 0.99 Allowed 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 162.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.6 m -135.87 9.63 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 123.301 0.64 . . . . 0.0 112.235 -173.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -133.28 152.68 51.94 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 169.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.18 18.56 79.29 Favored Glycine 0 CA--C 1.535 1.288 0 CA-C-O 119.582 -0.565 . . . . 0.0 112.765 -171.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.2 m -137.08 23.59 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 C-N-CA 125.39 1.476 . . . . 0.0 110.89 -172.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 70.87 5.26 57.19 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 124.319 0.961 . . . . 0.0 114.161 175.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -61.83 -36.15 80.33 Favored 'General case' 0 C--N 1.339 0.118 0 CA-C-N 119.04 1.42 . . . . 0.0 112.531 -168.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -58.7 -40.39 83.51 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.55 1.068 . . . . 0.0 110.962 177.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -72.2 -37.56 69.24 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-O 118.913 -0.565 . . . . 0.0 110.616 177.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -57.41 -51.84 67.78 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.997 0.817 . . . . 0.0 109.728 175.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 99.2 t -58.76 -42.7 86.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 123.969 0.908 . . . . 0.0 109.671 177.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.402 HE22 ' C ' ' A' ' 87' ' ' SER . 1.2 tp-100 -56.73 -50.33 72.53 Favored 'General case' 0 C--N 1.342 0.252 0 CA-C-N 119.007 0.821 . . . . 0.0 111.097 179.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.0 mmt -73.62 -36.23 65.43 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 -172.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -68.59 -30.49 69.25 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 119.029 -0.51 . . . . 0.0 111.57 176.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.37 -43.88 63.35 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 118.955 0.798 . . . . 0.0 110.631 172.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -65.3 -45.48 84.2 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 123.917 0.887 . . . . 0.0 111.352 -175.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -14.94 54.76 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 118.535 0.607 . . . . 0.0 112.602 176.019 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.8 tpt85 -110.94 12.35 22.19 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.833 1.253 . . . . 0.0 111.071 178.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt 51.24 31.7 7.21 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.526 1.93 . . . . 0.0 113.236 176.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.9 mt -76.08 167.36 22.01 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.716 -0.615 . . . . 0.0 109.786 174.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.51 152.78 50.9 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 124.58 1.152 . . . . 0.0 109.019 171.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 141.28 -155.93 25.4 Favored Glycine 0 CA--C 1.532 1.108 0 CA-C-O 119.415 -0.658 . . . . 0.0 111.616 -166.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.7 p90 -140.19 164.07 31.04 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 118.544 1.172 . . . . 0.0 113.135 -177.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.7 p -132.92 137.91 52.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 C-N-CA 124.028 0.931 . . . . 0.0 108.799 159.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -161.62 174.58 13.11 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.839 1.256 . . . . 0.0 111.545 -173.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -71.46 165.98 22.69 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.634 -0.666 . . . . 0.0 110.226 164.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 48.1 ttt85 -128.53 151.94 48.86 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 169.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -56.07 -32.01 63.71 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -165.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -65.9 -20.95 66.4 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.709 0.804 . . . . 0.0 112.838 177.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.19 3.56 26.03 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 126.512 2.006 . . . . 0.0 112.835 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -86.29 172.43 10.47 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 118.481 1.14 . . . . 0.0 109.164 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.9 t -92.4 146.29 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 168.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -125.92 135.6 52.08 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 174.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.5 mt -124.31 142.14 42.11 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 N-CA-C 103.865 -2.643 . . . . 0.0 103.865 176.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.8 tt -143.82 123.73 13.51 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 105.194 -2.15 . . . . 0.0 105.194 176.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -142.96 148.93 37.67 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 118.614 0.643 . . . . 0.0 110.601 -173.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -127.06 143.66 51.23 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 126.674 1.99 . . . . 0.0 107.983 177.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 170.93 -171.68 43.97 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 123.725 0.678 . . . . 0.0 111.549 175.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -54.9 145.18 63.59 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 123.042 2.495 . . . . 0.0 110.777 166.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -59.17 -40.7 86.45 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 122.076 -0.39 . . . . 0.0 110.941 -177.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -64.36 -43.65 93.87 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 121.821 -0.549 . . . . 0.0 111.208 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.13 -44.44 94.93 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 123.104 0.562 . . . . 0.0 110.255 176.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.9 mt -64.17 -38.73 92.11 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 118.225 -0.893 . . . . 0.0 111.121 177.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -63.22 -45.55 91.12 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 120.293 1.406 . . . . 0.0 110.913 176.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.1 m -56.07 -38.51 70.74 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.703 0.683 . . . . 0.0 110.646 173.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -71.52 -31.46 67.08 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-O 117.405 -1.283 . . . . 0.0 111.928 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.9 t -63.65 -44.23 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 121.438 1.927 . . . . 0.0 108.599 169.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -60.41 -34.09 73.44 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.776 0.716 . . . . 0.0 111.393 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.23 -54.47 17.49 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.076 0.551 . . . . 0.0 111.219 171.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 28.8 t -61.67 -41.57 90.93 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 C-N-CA 124.346 1.058 . . . . 0.0 110.675 -172.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -64.58 -15.48 61.13 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -177.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -69.88 -27.5 64.86 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 119.244 0.929 . . . . 0.0 111.813 172.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.73 -175.38 30.67 Favored Glycine 0 CA--C 1.536 1.37 0 N-CA-C 109.413 -1.475 . . . . 0.0 109.413 -154.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.6 p -68.84 162.16 66.2 Favored Pre-proline 0 CA--C 1.538 0.502 0 O-C-N 120.896 -1.355 . . . . 0.0 108.524 163.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -48.73 -12.47 0.2 Allowed 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 124.315 3.343 . . . . 0.0 115.782 161.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -113.82 -7.07 13.24 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.992 1.317 . . . . 0.0 111.784 -178.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.2 m -81.03 171.68 14.67 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.687 1.195 . . . . 0.0 111.604 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -139.86 88.65 2.25 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 105.444 -2.058 . . . . 0.0 105.444 155.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.1 p -59.78 136.02 23.8 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 165.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.4 p -119.97 -16.55 8.62 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.358 1.063 . . . . 0.0 110.798 177.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -154.51 146.44 23.52 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 124.139 0.976 . . . . 0.0 109.612 174.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.2 tt -145.69 145.45 20.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 C-N-CA 125.873 1.669 . . . . 0.0 107.9 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.8 m -140.2 150.56 44.31 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 125.724 1.61 . . . . 0.0 108.523 -176.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.5 t -138.8 143.2 32.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 C-N-CA 124.308 1.043 . . . . 0.0 108.726 -171.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.2 m -139.09 112.15 7.97 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 106.581 -1.636 . . . . 0.0 106.581 172.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -75.2 157.01 35.21 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 121.758 -0.589 . . . . 0.0 109.588 171.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.9 m -162.79 175.31 11.41 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.055 1.742 . . . . 0.0 109.178 178.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -127.91 25.58 5.93 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.074 0.949 . . . . 0.0 110.476 174.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.6 m -86.12 74.77 10.01 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 176.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 26.5 mt -63.67 124.78 22.3 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.383 -160.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -78.17 65.91 3.65 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.456 1.502 . . . . 0.0 108.353 165.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -69.31 12.26 1.32 Allowed Glycine 0 CA--C 1.537 1.464 0 C-N-CA 125.471 1.51 . . . . 0.0 113.447 175.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -52.75 159.76 1.04 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.121 1.768 . . . . 0.0 112.178 170.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 -69.49 -27.49 65.26 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.807 0.843 . . . . 0.0 113.268 -172.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -147.15 167.29 24.52 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 118.985 0.811 . . . . 0.0 111.449 -170.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -86.32 148.3 25.67 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 162.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.402 ' C ' HE22 ' A' ' 22' ' ' GLN . 50.2 m -138.58 158.7 43.76 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.072 0.851 . . . . 0.0 112.004 -170.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.4 mt -105.39 143.83 15.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 105.238 -2.134 . . . . 0.0 105.238 169.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.3 t -117.37 133.83 62.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 103.836 -2.653 . . . . 0.0 103.836 161.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -92.12 -7.67 47.89 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -165.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.5 m . . . . . 0 C--O 1.247 0.971 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 163.269 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.485 1.287 0 CA-C-O 120.962 0.41 . . . . 0.0 110.112 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 25.1 tp -134.82 176.45 8.64 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 126.026 1.73 . . . . 0.0 107.441 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -145.62 157.88 43.92 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.953 1.301 . . . . 0.0 108.548 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -146.12 168.85 19.95 Favored 'General case' 0 C--O 1.235 0.338 0 O-C-N 121.768 -0.582 . . . . 0.0 110.429 162.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -125.43 138.04 54.01 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 105.553 -2.017 . . . . 0.0 105.553 165.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.8 mt -133.63 138.5 50.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 106.284 -1.747 . . . . 0.0 106.284 -174.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.6 mm -116.2 139.66 41.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 105.23 -2.137 . . . . 0.0 105.23 173.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.6 t -132.55 136.11 56.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 -176.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -135.04 147.87 49.75 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 125.116 1.366 . . . . 0.0 108.668 -172.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.78 -156.82 22.68 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 -175.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -73.93 88.96 1.86 Allowed 'General case' 0 C--O 1.23 0.072 0 N-CA-C 106.83 -1.545 . . . . 0.0 106.83 165.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.6 m -130.48 11.26 2.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 124.74 1.216 . . . . 0.0 110.588 175.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -131.2 161.3 32.51 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 126.39 1.876 . . . . 0.0 106.869 169.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 60.87 20.66 57.62 Favored Glycine 0 CA--C 1.535 1.323 0 O-C-N 121.682 -0.636 . . . . 0.0 111.659 -163.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.5 m -148.26 151.85 13.0 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 C-N-CA 128.887 2.875 . . . . 0.0 104.456 173.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.1 35.04 2.15 Favored Glycine 0 CA--C 1.529 0.921 0 CA-C-O 119.315 -0.714 . . . . 0.0 113.674 -170.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -58.84 -37.74 77.13 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.85 1.325 . . . . 0.0 112.671 -169.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.9 mtm-85 -58.32 -39.7 80.13 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.136 0.88 . . . . 0.0 110.921 176.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -71.11 -38.89 72.34 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 118.572 0.624 . . . . 0.0 110.592 176.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -56.91 -52.64 64.36 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 119.104 0.865 . . . . 0.0 109.855 175.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.6 t -58.68 -41.58 82.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 123.732 0.813 . . . . 0.0 109.717 177.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -56.85 -50.62 71.88 Favored 'General case' 0 C--N 1.339 0.128 0 CA-C-N 118.729 0.695 . . . . 0.0 110.897 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 76.6 mtm -71.29 -36.69 71.76 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 119.457 -0.306 . . . . 0.0 110.181 -174.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -67.91 -30.86 70.3 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 118.287 0.494 . . . . 0.0 111.85 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.4 -43.02 61.39 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 118.912 0.778 . . . . 0.0 110.682 172.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -65.93 -44.48 85.0 Favored 'General case' 0 CA--C 1.527 0.075 0 C-N-CA 123.897 0.879 . . . . 0.0 111.302 -175.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -17.26 62.43 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 118.432 0.56 . . . . 0.0 112.349 175.288 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.6 tpt85 -105.82 8.43 32.78 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.731 1.213 . . . . 0.0 111.286 177.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp 49.16 33.61 5.14 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.89 2.076 . . . . 0.0 112.984 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.0 mt -75.59 166.09 24.1 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 121.772 -0.58 . . . . 0.0 109.741 173.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -132.57 149.03 52.38 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 124.354 1.061 . . . . 0.0 108.691 173.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 146.34 -162.42 28.42 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.531 -0.628 . . . . 0.0 111.531 -165.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 3.2 p90 -137.0 162.44 33.3 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 124.048 0.939 . . . . 0.0 112.144 177.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.3 p -131.21 142.08 44.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 158.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -153.79 155.13 35.27 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 124.124 0.969 . . . . 0.0 110.59 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -69.95 159.56 33.51 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 169.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 -120.31 132.61 55.37 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 167.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -59.99 -25.75 65.51 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.353 1.061 . . . . 0.0 112.624 -176.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.3 -21.16 63.69 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.9 0.88 . . . . 0.0 112.579 174.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.74 13.64 5.52 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 125.093 1.33 . . . . 0.0 113.238 175.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -113.15 -179.62 3.69 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 119.471 1.635 . . . . 0.0 109.292 -175.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 76.4 t -120.39 146.03 25.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 166.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -120.48 138.19 53.95 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 125.461 1.504 . . . . 0.0 107.023 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.0 mt -128.91 140.99 47.78 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 N-CA-C 104.568 -2.382 . . . . 0.0 104.568 177.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.8 tt -143.28 124.67 14.7 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 105.118 -2.179 . . . . 0.0 105.118 176.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -142.54 151.34 41.51 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 118.527 0.603 . . . . 0.0 109.992 -174.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -129.28 155.03 46.24 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 125.453 1.501 . . . . 0.0 109.177 168.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.75 -170.1 36.58 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.336 -0.706 . . . . 0.0 111.336 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -54.11 141.07 70.15 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 123.271 2.647 . . . . 0.0 110.728 168.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -63.3 -30.01 71.23 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.93 -0.481 . . . . 0.0 111.809 -179.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -67.43 -47.6 69.74 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 121.379 -0.826 . . . . 0.0 110.612 176.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.82 -44.45 94.02 Favored 'General case' 0 C--O 1.23 0.077 0 C-N-CA 123.433 0.693 . . . . 0.0 110.295 177.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 43.0 mt -61.92 -42.92 99.65 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 118.592 -0.718 . . . . 0.0 111.011 178.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -62.91 -46.17 89.06 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 119.854 1.207 . . . . 0.0 111.021 178.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.9 m -58.16 -36.52 73.14 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.602 0.637 . . . . 0.0 111.154 174.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -69.76 -32.94 71.72 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 117.427 -1.273 . . . . 0.0 111.42 178.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.5 t -62.69 -44.09 99.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-N 121.355 1.889 . . . . 0.0 109.111 168.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -60.13 -35.03 74.37 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.121 0.873 . . . . 0.0 111.162 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.51 -52.57 37.45 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 122.973 0.509 . . . . 0.0 111.21 171.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.1 t -62.79 -43.03 98.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 124.296 1.039 . . . . 0.0 110.93 -173.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -65.53 -18.07 65.04 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 118.713 0.688 . . . . 0.0 112.695 -175.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -69.72 -25.23 63.75 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 118.828 0.74 . . . . 0.0 111.578 172.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.35 -178.97 21.49 Favored Glycine 0 CA--C 1.534 1.237 0 N-CA-C 109.406 -1.478 . . . . 0.0 109.406 -153.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.0 p -68.83 159.52 81.97 Favored Pre-proline 0 CA--C 1.536 0.416 0 O-C-N 120.866 -1.373 . . . . 0.0 107.711 159.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -47.49 -27.25 7.15 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 123.298 2.666 . . . . 0.0 114.305 164.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -84.36 -27.62 27.58 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.671 0.788 . . . . 0.0 111.999 177.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 55.6 m -71.82 169.24 16.18 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 123.807 0.843 . . . . 0.0 111.573 -176.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -138.67 84.4 2.02 Favored 'General case' 0 N--CA 1.457 -0.105 0 N-CA-C 105.882 -1.896 . . . . 0.0 105.882 161.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.1 p -59.56 135.61 23.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 N-CA-C 107.316 -1.364 . . . . 0.0 107.316 165.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.8 p -119.59 -17.64 8.62 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.629 1.172 . . . . 0.0 110.599 177.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -154.77 150.5 27.61 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.253 1.021 . . . . 0.0 109.459 172.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.3 tt -145.88 145.85 19.84 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 125.649 1.58 . . . . 0.0 107.912 -178.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.7 m -137.7 144.97 42.01 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 125.893 1.677 . . . . 0.0 108.002 -174.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.0 t -137.48 143.98 32.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 124.148 0.979 . . . . 0.0 108.554 -173.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 57.6 m -135.81 114.41 11.83 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 105.609 -1.997 . . . . 0.0 105.609 171.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -77.21 148.37 35.89 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 171.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.6 m -151.6 169.05 23.06 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.906 1.283 . . . . 0.0 109.971 -168.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -141.54 29.13 1.77 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.842 0.857 . . . . 0.0 109.409 164.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.1 m -87.27 60.01 5.88 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.065 1.746 . . . . 0.0 107.587 -176.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 36.0 mt -53.0 141.91 21.07 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 124.581 1.152 . . . . 0.0 111.476 -162.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.35 -19.73 13.18 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.802 1.641 . . . . 0.0 110.82 -173.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.21 16.03 78.7 Favored Glycine 0 CA--C 1.528 0.848 0 CA-C-O 118.689 -1.062 . . . . 0.0 114.897 154.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -68.67 163.69 23.27 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 119.322 1.561 . . . . 0.0 109.784 169.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 24.3 p-80 -103.9 -2.01 26.84 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.708 0.803 . . . . 0.0 112.455 -178.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.55 162.86 40.64 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 124.265 1.026 . . . . 0.0 109.76 178.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -79.73 157.82 27.06 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 176.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.44 149.33 46.79 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.368 0.667 . . . . 0.0 110.949 -167.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 35.8 mt -104.68 135.89 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 104.473 -2.417 . . . . 0.0 104.473 162.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 61.9 t -130.98 145.5 35.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 -179.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -148.85 6.61 0.71 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.398 1.079 . . . . 0.0 112.001 -174.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.7 m . . . . . 0 C--O 1.248 1.023 0 C-N-CA 125.494 1.518 . . . . 0.0 110.949 -179.884 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 mmt . . . . . 0 N--CA 1.487 1.378 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 48.1 mt -129.42 -179.4 5.13 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 125.095 1.358 . . . . 0.0 108.111 171.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -152.0 149.84 29.32 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 125.988 1.715 . . . . 0.0 107.399 -170.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -146.47 166.18 27.2 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.995 0.426 . . . . 0.0 110.754 164.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.6 ttm-85 -118.27 141.89 48.05 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 105.601 -2.0 . . . . 0.0 105.601 158.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.8 mt -130.82 145.21 35.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 105.824 -1.917 . . . . 0.0 105.824 -178.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 21.0 mm -122.44 140.81 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 105.156 -2.165 . . . . 0.0 105.156 175.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.1 t -136.85 143.67 34.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 N-CA-C 107.019 -1.474 . . . . 0.0 107.019 -173.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -143.46 152.15 41.18 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 124.796 1.238 . . . . 0.0 109.267 -177.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 138.0 -156.56 23.89 Favored Glycine 0 CA--C 1.525 0.658 0 C-N-CA 124.971 1.272 . . . . 0.0 110.067 -176.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.3 ttp-105 -73.56 87.03 1.61 Allowed 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 161.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.3 m -133.59 13.49 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 C-N-CA 124.053 0.941 . . . . 0.0 111.158 -177.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.3 mp0 -138.88 164.47 29.59 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 125.784 1.633 . . . . 0.0 107.429 168.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.86 -51.53 3.81 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 109.357 -1.497 . . . . 0.0 109.357 -170.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.2 m -59.09 148.19 7.13 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 154.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.19 37.62 2.19 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 124.19 0.9 . . . . 0.0 112.715 -175.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -59.23 -39.43 82.71 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-N 118.052 0.926 . . . . 0.0 112.326 -166.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -59.81 -32.5 70.7 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 119.491 1.041 . . . . 0.0 111.792 178.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -73.67 -39.34 64.51 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.775 0.716 . . . . 0.0 109.898 176.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -55.9 -52.67 63.28 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.692 0.678 . . . . 0.0 109.439 174.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.4 t -57.8 -43.41 84.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 124.009 0.924 . . . . 0.0 110.003 178.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -55.65 -48.9 74.23 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 118.847 0.749 . . . . 0.0 110.652 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 76.8 mtm -73.81 -34.61 64.68 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 119.442 -0.313 . . . . 0.0 111.005 -174.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -70.94 -30.34 66.62 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.986 0.812 . . . . 0.0 111.55 176.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.23 -45.42 69.84 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 119.17 0.895 . . . . 0.0 109.845 170.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -63.66 -39.34 94.08 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 123.584 0.754 . . . . 0.0 111.761 -177.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.11 -26.01 67.26 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 119.367 0.985 . . . . 0.0 111.584 177.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -90.55 -0.43 57.67 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.97 0.908 . . . . 0.0 112.344 171.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm 46.09 39.0 5.33 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.088 1.755 . . . . 0.0 112.541 -172.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.6 mt -73.02 165.73 24.46 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 167.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.03 149.05 48.64 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.207 1.003 . . . . 0.0 108.875 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 142.64 -146.82 18.01 Favored Glycine 0 CA--C 1.531 1.086 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -167.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.4 p90 -146.71 169.01 19.93 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.013 0.907 . . . . 0.0 113.281 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 p -130.46 144.0 39.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 160.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -151.79 151.36 31.26 Favored 'General case' 0 CA--C 1.519 -0.246 0 O-C-N 121.745 -0.597 . . . . 0.0 111.153 176.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -66.25 149.85 49.71 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 160.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -106.94 139.86 40.67 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 168.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -58.54 -28.2 65.25 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.68 0.792 . . . . 0.0 112.647 -175.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -59.29 -31.52 69.21 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.91 0.884 . . . . 0.0 112.51 174.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.76 3.65 10.96 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 124.935 1.255 . . . . 0.0 113.474 -178.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.91 -179.71 5.55 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 119.685 1.742 . . . . 0.0 109.492 171.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 76.0 t -118.93 152.21 21.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 167.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -125.65 144.21 50.69 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 125.428 1.491 . . . . 0.0 107.617 177.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -120.54 147.96 24.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 N-CA-C 104.877 -2.268 . . . . 0.0 104.877 168.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.5 tt -144.1 126.68 16.0 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 105.239 -2.134 . . . . 0.0 105.239 168.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -142.76 156.13 44.95 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 118.483 0.583 . . . . 0.0 109.788 -178.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -135.23 155.05 51.31 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 125.677 1.591 . . . . 0.0 109.008 166.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 156.74 -166.72 33.48 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 123.626 0.631 . . . . 0.0 111.641 -178.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -57.22 143.19 94.14 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 123.687 2.925 . . . . 0.0 111.159 172.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -42.23 89.21 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 122.981 0.512 . . . . 0.0 112.115 -179.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -67.8 -38.07 82.82 Favored 'General case' 0 C--O 1.233 0.224 0 O-C-N 121.465 -0.772 . . . . 0.0 111.364 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.85 -44.08 90.91 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 122.761 0.424 . . . . 0.0 110.042 175.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.4 mt -61.84 -46.53 89.07 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.806 0.842 . . . . 0.0 110.513 177.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -61.42 -44.56 96.92 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 119.265 0.939 . . . . 0.0 110.622 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.1 m -58.7 -37.75 76.78 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 120.969 0.414 . . . . 0.0 110.688 176.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -70.66 -31.09 67.88 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 117.509 -1.234 . . . . 0.0 111.683 176.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.2 t -62.76 -44.31 99.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-N 121.289 1.859 . . . . 0.0 109.179 168.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -59.07 -37.97 78.34 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.051 0.841 . . . . 0.0 110.41 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.81 -51.18 58.65 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 122.791 0.436 . . . . 0.0 111.547 174.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 31.6 t -63.3 -44.69 99.25 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 124.219 1.008 . . . . 0.0 110.564 -175.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.9 pttt -65.68 -22.4 66.63 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.824 0.738 . . . . 0.0 112.408 -172.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -66.49 -27.95 68.19 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.265 0.484 . . . . 0.0 111.48 173.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.0 -177.74 38.13 Favored Glycine 0 CA--C 1.531 1.065 0 N-CA-C 109.354 -1.498 . . . . 0.0 109.354 -155.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 96.3 p -66.2 160.22 66.17 Favored Pre-proline 0 CA--C 1.539 0.522 0 O-C-N 121.084 -1.245 . . . . 0.0 108.022 158.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_exo -46.62 -26.33 4.28 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 123.439 2.759 . . . . 0.0 114.818 164.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -86.8 -26.69 23.97 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.636 0.774 . . . . 0.0 111.981 177.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.9 m -70.72 172.75 8.19 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.133 0.973 . . . . 0.0 111.373 -178.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -142.09 97.99 3.24 Favored 'General case' 0 CA--C 1.522 -0.097 0 N-CA-C 105.869 -1.9 . . . . 0.0 105.869 160.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 67.5 t -64.26 135.66 27.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 168.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.5 p -118.2 -18.97 9.19 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.994 0.918 . . . . 0.0 110.697 174.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -154.86 150.07 27.07 Favored 'General case' 0 C--N 1.341 0.22 0 C-N-CA 124.198 0.999 . . . . 0.0 109.301 172.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.0 tt -148.27 146.24 17.93 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 125.517 1.527 . . . . 0.0 107.975 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.6 m -139.86 149.76 43.81 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 126.003 1.721 . . . . 0.0 108.275 -176.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.4 t -138.39 144.37 30.49 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 124.17 0.988 . . . . 0.0 108.702 -172.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.1 m -134.91 103.96 5.79 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 105.781 -1.933 . . . . 0.0 105.781 170.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -74.43 149.53 40.37 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 170.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.3 m -148.75 163.84 36.15 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.335 1.454 . . . . 0.0 109.722 -171.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 60.5 ttp85 -144.06 47.77 1.41 Allowed 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.368 1.067 . . . . 0.0 108.697 176.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.0 m -134.65 59.62 1.73 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.961 2.104 . . . . 0.0 106.272 -172.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.5 mt -49.14 148.37 2.48 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 126.897 2.079 . . . . 0.0 113.705 -157.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -68.2 -40.09 82.27 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.405 1.082 . . . . 0.0 109.301 172.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 62.29 38.08 95.64 Favored Glycine 0 CA--C 1.533 1.198 0 N-CA-C 110.297 -1.121 . . . . 0.0 110.297 -166.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.55 166.28 22.14 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.728 1.211 . . . . 0.0 109.992 -178.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -129.53 3.75 5.07 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.046 0.939 . . . . 0.0 112.001 -178.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.9 ptt85 -154.21 157.5 38.88 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 125.612 1.565 . . . . 0.0 108.582 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -86.21 149.15 25.29 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 154.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 m -138.73 162.43 34.71 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 122.842 0.457 . . . . 0.0 111.168 -167.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 24.7 mt -118.3 139.53 45.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 N-CA-C 105.927 -1.879 . . . . 0.0 105.927 169.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -132.88 167.96 25.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 C-N-CA 124.382 1.073 . . . . 0.0 108.578 174.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -138.34 80.61 1.8 Allowed 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 -158.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.7 m . . . . . 0 C--O 1.251 1.136 0 C-N-CA 124.966 1.306 . . . . 0.0 110.336 -175.769 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.4 mmm . . . . . 0 N--CA 1.486 1.341 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 76.8 mt -142.16 -179.66 6.37 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 125.793 1.637 . . . . 0.0 108.308 176.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -136.86 154.79 50.4 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 125.343 1.457 . . . . 0.0 108.563 175.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -140.69 169.51 17.5 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.379 0.609 . . . . 0.0 110.805 157.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -132.98 133.46 43.18 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 105.104 -2.184 . . . . 0.0 105.104 170.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.9 mt -131.76 137.34 55.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 106.298 -1.742 . . . . 0.0 106.298 -172.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.4 mm -113.14 139.71 36.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 105.18 -2.156 . . . . 0.0 105.18 174.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.0 t -134.87 137.2 51.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 -178.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -132.04 151.17 51.91 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 125.219 1.408 . . . . 0.0 108.788 -174.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.38 -157.37 22.27 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 177.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.5 ttp-105 -72.98 87.97 1.36 Allowed 'General case' 0 C--O 1.23 0.067 0 N-CA-C 106.922 -1.511 . . . . 0.0 106.922 167.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.4 m -133.18 -31.42 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 124.051 0.94 . . . . 0.0 111.406 176.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -83.79 -39.11 20.43 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 120.774 -1.204 . . . . 0.0 110.933 -174.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.5 1.1 38.14 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 123.773 0.702 . . . . 0.0 113.46 178.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.5 m -130.82 10.83 2.0 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 C-N-CA 126.018 1.727 . . . . 0.0 110.947 -174.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.85 30.97 72.44 Favored Glycine 0 C--N 1.343 0.917 0 CA-C-O 119.262 -0.744 . . . . 0.0 113.673 169.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -53.58 -31.42 46.69 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 118.545 1.172 . . . . 0.0 112.794 -177.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -55.08 -37.49 66.86 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 119.136 0.88 . . . . 0.0 111.386 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -71.51 -39.6 70.68 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 118.624 0.647 . . . . 0.0 110.823 178.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -59.26 -49.57 77.33 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 118.751 0.705 . . . . 0.0 109.622 175.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.8 t -57.9 -42.85 83.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 C-N-CA 123.354 0.662 . . . . 0.0 109.898 175.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -56.94 -48.97 77.05 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 118.724 0.693 . . . . 0.0 110.849 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 95.7 mtp -71.22 -37.83 72.04 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 122.517 0.327 . . . . 0.0 110.218 -175.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -69.03 -30.32 68.66 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 119.166 -0.445 . . . . 0.0 111.683 177.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.31 -44.73 62.28 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 118.976 0.807 . . . . 0.0 110.12 172.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -63.88 -42.01 97.59 Favored 'General case' 0 C--O 1.23 0.058 0 C-N-CA 123.787 0.835 . . . . 0.0 111.522 -176.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -13.51 62.13 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.363 -0.835 . . . . 0.0 112.766 177.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -104.28 1.14 30.08 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.336 1.054 . . . . 0.0 111.771 170.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt 41.79 42.88 2.32 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.446 1.899 . . . . 0.0 112.397 -170.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.4 mt -69.42 165.56 20.57 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 166.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.5 141.8 43.49 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 123.405 0.682 . . . . 0.0 109.574 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 144.87 -154.37 25.83 Favored Glycine 0 CA--C 1.533 1.195 0 CA-C-O 119.771 -0.461 . . . . 0.0 112.34 -165.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.0 p90 -140.26 165.38 27.55 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 117.935 0.867 . . . . 0.0 112.931 -176.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.3 p -136.96 138.67 45.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 160.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -160.53 176.31 11.74 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.853 0.861 . . . . 0.0 111.422 -171.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -69.47 159.93 32.36 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.329 0.652 . . . . 0.0 110.272 165.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 53.7 ttt85 -129.78 140.54 51.03 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 165.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -57.56 -29.76 64.68 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.865 1.266 . . . . 0.0 114.139 -160.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -63.65 -20.85 66.02 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 177.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.88 32.14 1.23 Allowed Glycine 0 CA--C 1.527 0.843 0 C-N-CA 125.369 1.462 . . . . 0.0 112.008 173.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -124.63 173.41 8.53 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 118.592 1.196 . . . . 0.0 109.373 -169.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.4 t -95.82 146.66 6.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 106.006 -1.849 . . . . 0.0 106.006 166.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -127.93 139.7 52.43 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 175.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.0 mt -129.53 142.23 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 N-CA-C 104.682 -2.34 . . . . 0.0 104.682 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.1 tt -143.98 129.46 19.02 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 105.589 -2.004 . . . . 0.0 105.589 177.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.1 143.8 31.3 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 118.318 0.508 . . . . 0.0 109.967 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -99.67 154.05 18.6 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 156.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 173.55 177.77 43.02 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-O 119.823 -0.432 . . . . 0.0 112.732 177.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -72.54 153.75 54.98 Favored 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 122.853 2.369 . . . . 0.0 109.685 167.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -58.83 -42.99 90.57 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.342 0.657 . . . . 0.0 111.781 -170.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -64.24 -42.31 96.58 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 118.629 0.65 . . . . 0.0 111.499 -176.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.24 -43.53 86.31 Favored 'General case' 0 N--CA 1.457 -0.091 0 N-CA-C 110.108 -0.331 . . . . 0.0 110.108 177.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 46.7 mt -61.51 -46.7 88.85 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.001 0.52 . . . . 0.0 110.463 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -63.16 -44.62 94.99 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 119.569 1.077 . . . . 0.0 110.971 178.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.3 m -58.26 -39.46 79.23 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 121.228 0.537 . . . . 0.0 110.548 175.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -69.7 -31.56 69.66 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-O 116.989 -1.482 . . . . 0.0 111.234 178.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 38.2 t -62.02 -47.43 93.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 121.571 1.987 . . . . 0.0 108.669 167.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -59.07 -35.15 72.88 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.763 0.711 . . . . 0.0 110.81 -176.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.79 -56.48 9.03 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.243 0.617 . . . . 0.0 111.763 170.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.7 t -57.69 -46.62 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 C-N-CA 125.048 1.339 . . . . 0.0 111.017 -172.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.4 pptp? -64.59 -18.2 64.67 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -174.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -68.0 -27.78 66.86 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.888 0.767 . . . . 0.0 111.713 172.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 70.68 -174.17 39.75 Favored Glycine 0 CA--C 1.534 1.256 0 N-CA-C 109.41 -1.476 . . . . 0.0 109.41 -154.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.7 m -63.55 158.4 59.22 Favored Pre-proline 0 CA--C 1.539 0.547 0 O-C-N 121.164 -1.198 . . . . 0.0 108.011 158.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_exo -46.83 -33.57 14.35 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.267 2.645 . . . . 0.0 114.202 165.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -79.28 -17.82 53.92 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.166 0.987 . . . . 0.0 113.271 178.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.3 m -73.95 171.25 13.8 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.881 0.872 . . . . 0.0 112.84 -173.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 54.1 tttp -137.6 96.91 3.33 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 105.24 -2.133 . . . . 0.0 105.24 161.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 66.8 t -64.63 134.04 29.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 168.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.8 p -117.19 -19.62 9.58 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.008 0.923 . . . . 0.0 110.813 177.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -155.49 151.0 27.19 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 124.631 1.172 . . . . 0.0 108.742 169.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 12.7 tt -142.88 142.16 26.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 125.502 1.521 . . . . 0.0 107.174 174.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 66.7 m -136.71 150.81 48.64 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 125.73 1.612 . . . . 0.0 108.386 -178.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.2 t -140.65 145.54 25.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 124.127 0.971 . . . . 0.0 108.883 -169.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.2 m -131.09 137.12 48.96 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 164.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -119.91 144.01 47.66 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 54.4 m -147.3 157.33 43.55 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.946 0.898 . . . . 0.0 110.344 -163.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -122.69 53.0 1.29 Allowed 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.289 1.436 . . . . 0.0 107.185 176.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.3 m -139.97 130.42 25.48 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 105.182 -2.155 . . . . 0.0 105.182 -178.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -87.44 168.23 13.29 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -174.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -117.4 -14.63 10.36 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.118 1.367 . . . . 0.0 111.243 -171.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 71.42 2.96 51.97 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 124.919 1.247 . . . . 0.0 113.147 173.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -72.3 153.57 41.45 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.024 0.93 . . . . 0.0 108.977 176.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -129.47 13.9 6.03 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.576 1.151 . . . . 0.0 110.576 176.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.56 167.06 30.1 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 126.341 1.856 . . . . 0.0 107.485 177.204 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -102.7 152.03 21.69 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 169.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.5 m -134.38 151.84 51.44 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 123.426 0.69 . . . . 0.0 111.998 -177.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 38.4 mt -97.59 146.78 7.23 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 104.873 -2.269 . . . . 0.0 104.873 159.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.2 t -119.36 130.45 73.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 N-CA-C 105.448 -2.056 . . . . 0.0 105.448 160.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -94.35 18.43 11.13 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.079 0.952 . . . . 0.0 112.081 -164.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.251 1.167 0 C-N-CA 125.891 1.676 . . . . 0.0 111.127 178.961 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 mmt . . . . . 0 N--CA 1.486 1.329 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 46.0 mt -135.92 175.27 9.75 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 124.772 1.229 . . . . 0.0 108.189 172.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -136.72 150.47 48.45 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 125.761 1.624 . . . . 0.0 107.851 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -138.65 168.21 20.28 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.483 0.658 . . . . 0.0 110.356 166.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -131.04 136.52 48.54 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 105.261 -2.126 . . . . 0.0 105.261 166.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.7 mt -132.06 136.68 56.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.0 mm -113.22 139.24 39.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 105.133 -2.173 . . . . 0.0 105.133 175.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.5 t -135.62 139.84 45.65 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 -174.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -142.39 154.11 44.34 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 125.302 1.441 . . . . 0.0 109.569 -174.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.01 -153.79 21.08 Favored Glycine 0 CA--C 1.522 0.512 0 C-N-CA 125.484 1.516 . . . . 0.0 109.497 -175.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -73.62 79.66 1.5 Allowed 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 163.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.2 m -131.57 7.8 1.79 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 123.453 0.701 . . . . 0.0 111.906 -172.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -132.16 153.19 50.79 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 168.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.82 18.81 79.68 Favored Glycine 0 CA--C 1.537 1.407 0 CA-C-O 119.706 -0.497 . . . . 0.0 112.586 -169.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 m -137.45 19.71 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 125.652 1.581 . . . . 0.0 110.967 -173.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.55 12.11 60.95 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 124.324 0.964 . . . . 0.0 114.196 176.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -61.17 -39.19 89.19 Favored 'General case' 0 C--N 1.339 0.138 0 CA-C-N 118.838 1.319 . . . . 0.0 112.419 -166.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 90.0 mtm-85 -62.04 -33.76 74.97 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.892 1.224 . . . . 0.0 111.855 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -70.21 -39.59 75.07 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 118.95 0.796 . . . . 0.0 110.358 174.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -57.51 -51.28 70.11 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.732 0.696 . . . . 0.0 109.854 175.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.6 t -57.86 -43.16 83.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 123.729 0.811 . . . . 0.0 109.719 176.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -58.3 -49.56 76.71 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 118.79 0.723 . . . . 0.0 110.996 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.5 mtt -72.38 -36.58 68.74 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 -174.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -68.9 -30.36 68.83 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 118.947 -0.549 . . . . 0.0 111.618 177.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.07 -43.56 64.67 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 119.068 0.849 . . . . 0.0 110.319 171.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -66.31 -43.92 84.9 Favored 'General case' 0 N--CA 1.461 0.092 0 C-N-CA 123.685 0.794 . . . . 0.0 111.654 -175.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.35 -16.12 59.46 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.906 0.776 . . . . 0.0 112.397 176.101 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.9 tpt85 -108.71 5.21 24.58 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.961 1.304 . . . . 0.0 111.122 177.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt 39.37 44.46 1.09 Allowed 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 127.729 2.412 . . . . 0.0 113.224 -174.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.1 mt -72.89 165.82 24.19 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 165.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.23 151.31 50.88 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 124.292 1.037 . . . . 0.0 109.289 175.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 140.69 -154.44 24.27 Favored Glycine 0 CA--C 1.531 1.045 0 CA-C-N 118.092 0.405 . . . . 0.0 112.439 -171.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 2.8 p90 -138.65 163.89 30.94 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.069 0.947 . . . . 0.0 112.513 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.4 p -130.99 140.27 49.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 N-CA-C 107.481 -1.304 . . . . 0.0 107.481 157.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -154.3 163.7 39.74 Favored 'General case' 0 C--N 1.338 0.101 0 C-N-CA 123.502 0.721 . . . . 0.0 111.965 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -64.54 132.92 51.25 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 162.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -88.13 147.09 25.08 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 168.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -56.25 -31.72 63.82 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -173.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -64.21 -21.9 66.74 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.279 1.032 . . . . 0.0 113.109 176.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.68 0.23 29.05 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 125.797 1.665 . . . . 0.0 112.966 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -81.31 175.65 10.41 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 118.724 1.262 . . . . 0.0 108.745 174.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.3 t -101.6 143.37 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 168.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -123.08 136.01 54.63 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 125.525 1.53 . . . . 0.0 106.883 177.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 23.5 mt -126.88 138.16 55.65 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 N-CA-C 103.92 -2.622 . . . . 0.0 103.92 179.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.7 tt -143.58 117.97 9.66 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 105.286 -2.116 . . . . 0.0 105.286 178.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.06 152.95 41.67 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.049 0.54 . . . . 0.0 110.303 -169.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -140.19 155.08 47.07 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 124.563 1.145 . . . . 0.0 111.36 174.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 159.07 -165.1 34.11 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.544 1.069 . . . . 0.0 111.0 -177.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -56.48 147.53 68.42 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 123.833 3.022 . . . . 0.0 112.033 174.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -62.9 -35.65 80.74 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.877 -0.514 . . . . 0.0 111.245 -178.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -70.67 -38.01 73.71 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.093 -1.004 . . . . 0.0 111.049 177.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.32 -44.29 92.04 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 122.894 0.477 . . . . 0.0 109.945 177.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 76.4 mt -61.78 -43.22 99.29 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 118.343 -0.836 . . . . 0.0 110.308 176.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -60.28 -47.47 85.86 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 120.133 1.333 . . . . 0.0 111.534 177.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.8 m -56.62 -38.18 71.73 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 118.442 0.564 . . . . 0.0 110.836 174.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -70.0 -33.77 72.46 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 117.272 -1.347 . . . . 0.0 111.521 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.9 t -63.42 -44.53 98.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-N 121.347 1.885 . . . . 0.0 108.797 170.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -59.43 -35.59 74.31 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.87 0.759 . . . . 0.0 111.091 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.63 -53.47 27.71 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 122.945 0.498 . . . . 0.0 111.274 171.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.7 t -62.25 -42.57 95.81 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 C-N-CA 124.352 1.061 . . . . 0.0 111.08 -171.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -64.57 -19.07 65.43 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.92 0.782 . . . . 0.0 112.591 -175.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -69.4 -27.79 65.59 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 118.827 0.74 . . . . 0.0 111.737 174.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.27 -172.81 37.27 Favored Glycine 0 CA--C 1.535 1.331 0 N-CA-C 109.389 -1.485 . . . . 0.0 109.389 -154.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 99.4 p -66.81 161.44 61.34 Favored Pre-proline 0 CA--C 1.538 0.516 0 O-C-N 120.953 -1.322 . . . . 0.0 108.378 160.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -47.13 -24.69 3.69 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 123.619 2.879 . . . . 0.0 114.896 163.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -92.55 -18.4 23.18 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.097 0.959 . . . . 0.0 112.223 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.1 m -73.28 171.46 12.99 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.04 0.936 . . . . 0.0 112.043 -178.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -140.39 98.6 3.46 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 105.637 -1.986 . . . . 0.0 105.637 158.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.0 t -63.34 135.38 27.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 168.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.3 p -121.99 -16.38 7.57 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.636 0.774 . . . . 0.0 110.812 173.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -154.08 147.8 25.32 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.252 1.021 . . . . 0.0 109.253 172.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.6 tt -148.41 144.49 18.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 125.46 1.504 . . . . 0.0 107.854 -178.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.2 m -140.77 153.46 45.86 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 125.661 1.584 . . . . 0.0 108.736 -175.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.9 t -138.62 146.48 26.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 123.954 0.901 . . . . 0.0 109.535 -168.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -134.53 146.56 49.81 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 127.406 2.282 . . . . 0.0 105.725 170.429 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -124.73 154.59 40.63 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 124.33 1.052 . . . . 0.0 109.508 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.2 m -160.77 170.43 20.74 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.577 1.151 . . . . 0.0 110.256 -175.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -140.83 51.46 1.63 Allowed 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 125.296 1.438 . . . . 0.0 107.266 174.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.0 m -136.68 63.72 1.57 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 -155.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -55.95 136.42 51.84 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.774 -154.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.91 -22.67 15.67 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.328 1.451 . . . . 0.0 111.633 -175.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.29 17.99 72.62 Favored Glycine 0 CA--C 1.529 0.948 0 CA-C-O 118.112 -1.382 . . . . 0.0 115.487 151.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -61.15 150.45 34.2 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.997 1.899 . . . . 0.0 109.933 169.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 15.3 p-80 -82.33 4.58 23.27 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.616 1.166 . . . . 0.0 112.187 174.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.5 ptt-85 -158.71 171.16 20.61 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 125.432 1.493 . . . . 0.0 109.079 -167.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -89.47 155.57 19.22 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 154.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.0 m -135.14 150.37 50.17 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.638 0.775 . . . . 0.0 111.636 -176.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 28.3 mt -96.78 136.57 27.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 N-CA-C 104.142 -2.54 . . . . 0.0 104.142 157.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 47.9 t -132.32 148.21 31.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 178.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -149.5 6.08 0.64 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.355 1.062 . . . . 0.0 112.106 -176.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.6 m . . . . . 0 C--O 1.249 1.073 0 C-N-CA 125.504 1.522 . . . . 0.0 110.951 -179.613 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.7 mtt . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.902 0.382 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.7 mt -138.11 -179.72 5.95 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 126.053 1.741 . . . . 0.0 108.001 176.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -149.22 156.42 42.12 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -175.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -146.86 169.01 20.0 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.431 0.634 . . . . 0.0 111.109 167.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -122.9 140.1 53.34 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 105.447 -2.057 . . . . 0.0 105.447 161.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.7 mt -132.51 139.99 48.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 105.954 -1.869 . . . . 0.0 105.954 177.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.9 mm -119.19 137.88 51.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 104.889 -2.263 . . . . 0.0 104.889 173.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.1 t -131.64 139.22 51.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 -175.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -134.4 151.66 51.33 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 124.927 1.291 . . . . 0.0 109.029 -171.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.76 -155.17 21.07 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 124.698 1.142 . . . . 0.0 110.514 -179.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -73.8 84.93 1.68 Allowed 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 106.345 -1.724 . . . . 0.0 106.345 165.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.7 m -137.79 -17.17 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -173.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -80.9 -30.91 35.37 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 120.45 1.477 . . . . 0.0 113.558 -170.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -131.71 37.18 2.1 Favored Glycine 0 CA--C 1.525 0.713 0 C-N-CA 124.032 0.825 . . . . 0.0 111.963 -164.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.6 m -136.01 30.89 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 125.572 1.549 . . . . 0.0 110.158 -170.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.8 -8.83 40.72 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 121.375 -0.828 . . . . 0.0 113.599 177.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -61.5 -37.2 82.83 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 119.077 1.439 . . . . 0.0 113.236 -166.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.2 mtm105 -57.87 -38.59 76.01 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.701 1.137 . . . . 0.0 110.991 177.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -76.89 -36.38 56.74 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.489 0.716 . . . . 0.0 110.204 177.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -55.21 -51.75 65.57 Favored 'General case' 0 C--N 1.341 0.196 0 CA-C-N 118.78 0.718 . . . . 0.0 109.77 173.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.7 t -60.73 -40.35 84.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 C-N-CA 123.983 0.913 . . . . 0.0 110.077 177.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -56.34 -49.55 74.04 Favored 'General case' 0 C--N 1.341 0.198 0 CA-C-N 119.045 0.839 . . . . 0.0 110.627 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 76.2 mtm -72.68 -35.05 67.59 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 122.595 0.358 . . . . 0.0 110.564 -176.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -71.22 -25.07 62.33 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 118.593 -0.718 . . . . 0.0 112.482 178.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.33 -47.66 26.7 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 119.434 1.015 . . . . 0.0 109.503 168.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -59.7 -38.13 80.76 Favored 'General case' 0 CA--C 1.527 0.094 0 C-N-CA 123.603 0.761 . . . . 0.0 111.795 -176.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.258 0.0 OUTLIER -70.37 -2.22 12.99 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 178.851 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -121.79 8.48 9.98 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.191 1.396 . . . . 0.0 111.168 167.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 46.13 36.31 3.08 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.96 1.704 . . . . 0.0 112.375 -171.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.6 mt -69.63 162.96 26.59 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 171.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -143.22 145.8 33.1 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.272 0.629 . . . . 0.0 110.367 -170.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 138.19 -149.38 20.46 Favored Glycine 0 CA--C 1.535 1.322 0 N-CA-C 111.581 -0.607 . . . . 0.0 111.581 -163.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 13.6 p90 -141.37 167.29 22.53 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 118.159 0.979 . . . . 0.0 113.138 178.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.4 p -132.75 143.5 39.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 160.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.0 pttt -152.91 156.91 39.82 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 123.35 0.66 . . . . 0.0 110.415 -178.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -71.19 160.35 33.01 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 166.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 56.2 mtt180 -120.2 133.14 55.56 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 106.908 -1.516 . . . . 0.0 106.908 165.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -60.51 -25.06 65.8 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.174 0.99 . . . . 0.0 112.467 -175.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -62.03 -18.3 60.11 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.197 0.999 . . . . 0.0 112.761 174.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.72 15.25 4.94 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 124.974 1.273 . . . . 0.0 113.262 173.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 -116.81 -177.47 3.2 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 118.77 1.285 . . . . 0.0 109.49 -170.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.9 t -123.94 145.3 31.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 105.721 -1.955 . . . . 0.0 105.721 166.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -118.64 138.74 52.39 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 125.756 1.623 . . . . 0.0 106.775 176.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.9 mt -131.01 137.23 56.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 N-CA-C 104.35 -2.463 . . . . 0.0 104.35 177.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.9 tt -148.42 122.16 9.27 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 106.063 -1.828 . . . . 0.0 106.063 -176.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -153.35 163.28 40.2 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 118.532 0.605 . . . . 0.0 112.433 -173.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -127.36 145.64 50.74 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 127.887 2.475 . . . . 0.0 107.114 178.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 170.06 -174.75 44.2 Favored Glycine 0 CA--C 1.527 0.835 0 CA-C-O 119.849 -0.417 . . . . 0.0 112.872 174.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -55.16 141.42 80.17 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 123.582 2.855 . . . . 0.0 110.81 168.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -64.27 -31.9 73.28 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -175.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -71.43 -41.41 69.54 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 121.289 -0.882 . . . . 0.0 110.923 177.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.01 -43.16 96.46 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 122.88 0.472 . . . . 0.0 109.727 176.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.1 mt -61.52 -47.84 83.75 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-O 118.689 -0.672 . . . . 0.0 110.476 176.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -59.64 -42.23 92.27 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 120.008 1.277 . . . . 0.0 111.092 178.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.0 m -62.04 -37.32 84.5 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 121.018 0.437 . . . . 0.0 110.88 176.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -66.55 -35.43 80.2 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 117.396 -1.288 . . . . 0.0 110.827 174.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.9 t -61.38 -45.17 99.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-N 121.252 1.842 . . . . 0.0 109.735 170.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -59.02 -38.06 78.37 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.67 0.668 . . . . 0.0 110.502 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.68 -50.48 62.76 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.116 0.417 . . . . 0.0 112.032 171.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.3 t -62.22 -43.39 97.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 124.899 1.28 . . . . 0.0 110.996 -171.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -63.33 -18.25 63.43 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 119.014 0.825 . . . . 0.0 113.096 -176.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -66.08 -29.14 69.42 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 118.921 0.782 . . . . 0.0 111.842 173.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.01 -171.88 38.18 Favored Glycine 0 CA--C 1.534 1.227 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 -155.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 93.5 p -69.59 161.73 72.12 Favored Pre-proline 0 CA--C 1.539 0.529 0 O-C-N 120.936 -1.332 . . . . 0.0 108.167 160.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -47.66 -21.29 2.24 Favored 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 123.704 2.936 . . . . 0.0 115.095 162.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -98.13 -14.25 20.52 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.486 1.114 . . . . 0.0 112.107 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.6 m -73.46 169.95 16.13 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.902 0.858 . . . . 0.0 112.024 -178.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.8 ttmt -136.97 95.2 3.07 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 105.061 -2.2 . . . . 0.0 105.061 157.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.4 t -62.1 134.92 27.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 167.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 61.4 p -117.03 -21.17 9.02 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.824 0.85 . . . . 0.0 110.515 175.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -156.34 156.03 33.23 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.304 1.042 . . . . 0.0 109.236 171.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.6 tt -147.77 144.74 19.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 125.665 1.586 . . . . 0.0 107.623 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.0 m -138.18 147.43 43.82 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 125.841 1.656 . . . . 0.0 108.032 -174.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.7 t -135.62 145.33 31.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -173.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.7 m -131.46 114.16 14.59 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 104.523 -2.399 . . . . 0.0 104.523 170.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -72.64 146.56 46.5 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 167.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.1 m -145.48 160.47 41.55 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.801 0.841 . . . . 0.0 109.7 -171.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -146.91 29.13 1.0 Allowed 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.14 0.495 . . . . 0.0 110.278 165.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.4 m -83.39 62.65 6.86 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.106 1.762 . . . . 0.0 106.829 174.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.8 mt -54.98 148.85 12.72 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 124.543 1.137 . . . . 0.0 111.791 -162.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -121.47 -13.01 8.48 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 125.708 1.603 . . . . 0.0 111.355 -167.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 61.19 17.51 52.52 Favored Glycine 0 CA--C 1.53 1.02 0 C-N-CA 124.643 1.116 . . . . 0.0 113.538 169.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.61 149.85 48.11 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 117.663 0.731 . . . . 0.0 109.468 -178.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -127.21 26.47 6.04 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.542 1.537 . . . . 0.0 109.165 175.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -154.13 152.27 30.22 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 127.23 2.212 . . . . 0.0 107.546 -176.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -110.91 150.79 28.7 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 107.028 -1.471 . . . . 0.0 107.028 167.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.7 m -135.9 157.36 47.04 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -177.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 22.9 mt -103.57 137.56 31.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 N-CA-C 104.376 -2.453 . . . . 0.0 104.376 161.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 20.4 t -127.06 151.03 33.44 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 176.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -125.68 70.48 1.2 Allowed 'General case' 0 C--O 1.235 0.304 0 C-N-CA 123.876 0.871 . . . . 0.0 108.717 -162.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.249 1.071 0 C-N-CA 125.542 1.537 . . . . 0.0 110.538 174.424 . . . . . . . . 0 0 . 1 stop_ save_